8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one

C174H141Cl3O30 — CID 157296282

IUPAC8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
SMILESCCCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.CCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.CCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCCCl)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCCl)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCl)c3)c(-c3ccccc3)c12
InChIInChI=1S/C31H28O5.C30H26O5.C29H23ClO5.C29H24O5.C28H21ClO5.C27H19ClO5/c1-3-4-5-9-17-34-23-14-10-13-22(19-23)29(33)31-27(21-11-7-6-8-12-21)28-25(35-31)16-15-24-20(2)18-26(32)36-30(24)28;1-3-4-8-16-33-22-13-9-12-21(18-22)28(32)30-26(20-10-6-5-7-11-20)27-24(34-30)15-14-23-19(2)17-25(31)35-29(23)27;1-18-16-24(31)35-28-22(18)12-13-23-26(28)25(19-8-3-2-4-9-19)29(34-23)27(32)20-10-7-11-21(17-20)33-15-6-5-14-30;1-3-4-15-32-21-12-8-11-20(17-21)27(31)29-25(19-9-6-5-7-10-19)26-23(33-29)14-13-22-18(2)16-24(30)34-28(22)26;1-17-15-23(30)34-27-21(17)11-12-22-25(27)24(18-7-3-2-4-8-18)28(33-22)26(31)19-9-5-10-20(16-19)32-14-6-13-29;1-16-14-22(29)33-26-20(16)10-11-21-24(26)23(17-6-3-2-4-7-17)27(32-21)25(30)18-8-5-9-19(15-18)31-13-12-28/h6-8,10-16,18-19H,3-5,9,17H2,1-2H3;5-7,9-15,17-18H,3-4,8,16H2,1-2H3;2-4,7-13,16-17H,5-6,14-15H2,1H3;5-14,16-17H,3-4,15H2,1-2H3;2-5,7-12,15-16H,6,13-14H2,1H3;2-11,14-15H,12-13H2,1H3
InChIKeyBBJOVXHXOSRVRB-UHFFFAOYSA-N
MW2818.37 g/mol
LogP42.20
Rot. Bonds45

About 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one

8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 157296282) has the molecular formula C174H141Cl3O30 and a molecular weight of 2818.37 g/mol. Its IUPAC name is 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID157296282
Molecular FormulaC174H141Cl3O30
Molecular Weight2818.37 g/mol
Exact Mass2814.86
IUPAC Name8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
SMILESCCCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.CCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.CCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCCCl)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCCl)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCl)c3)c(-c3ccccc3)c12
InChIInChI=1S/C31H28O5.C30H26O5.C29H23ClO5.C29H24O5.C28H21ClO5.C27H19ClO5/c1-3-4-5-9-17-34-23-14-10-13-22(19-23)29(33)31-27(21-11-7-6-8-12-21)28-25(35-31)16-15-24-20(2)18-26(32)36-30(24)28;1-3-4-8-16-33-22-13-9-12-21(18-22)28(32)30-26(20-10-6-5-7-11-20)27-24(34-30)15-14-23-19(2)17-25(31)35-29(23)27;1-18-16-24(31)35-28-22(18)12-13-23-26(28)25(19-8-3-2-4-9-19)29(34-23)27(32)20-10-7-11-21(17-20)33-15-6-5-14-30;1-3-4-15-32-21-12-8-11-20(17-21)27(31)29-25(19-9-6-5-7-10-19)26-23(33-29)14-13-22-18(2)16-24(30)34-28(22)26;1-17-15-23(30)34-27-21(17)11-12-22-25(27)24(18-7-3-2-4-8-18)28(33-22)26(31)19-9-5-10-20(16-19)32-14-6-13-29;1-16-14-22(29)33-26-20(16)10-11-21-24(26)23(17-6-3-2-4-7-17)27(32-21)25(30)18-8-5-9-19(15-18)31-13-12-28/h6-8,10-16,18-19H,3-5,9,17H2,1-2H3;5-7,9-15,17-18H,3-4,8,16H2,1-2H3;2-4,7-13,16-17H,5-6,14-15H2,1H3;5-14,16-17H,3-4,15H2,1-2H3;2-5,7-12,15-16H,6,13-14H2,1H3;2-11,14-15H,12-13H2,1H3
InChIKeyBBJOVXHXOSRVRB-UHFFFAOYSA-N
XLogP42.20
TPSA417.90 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002818.37
LogP ≤ 542.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one (CID 157296282) is 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one is CCCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.CCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.CCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCCCl)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCCl)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCCl)c3)c(-c3ccccc3)c12.
What is the InChIKey of 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is BBJOVXHXOSRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O5.C30H26O5.C29H23ClO5.C29H24O5.C28H21ClO5.C27H19ClO5/c1-3-4-5-9-17-34-23-14-10-13-22(19-23)29(33)31-27(21-11-7-6-8-12-21)28-25(35-31)16-15-24-20(2)18-26(32)36-30(24)28;1-3-4-8-16-33-22-13-9-12-21(18-22)28(32)30-26(20-10-6-5-7-11-20)27-24(34-30)15-14-23-19(2)17-25(31)35-29(23)27;1-18-16-24(31)35-28-22(18)12-13-23-26(28)25(19-8-3-2-4-9-19)29(34-23)27(32)20-10-7-11-21(17-20)33-15-6-5-14-30;1-3-4-15-32-21-12-8-11-20(17-21)27(31)29-25(19-9-6-5-7-10-19)26-23(33-29)14-13-22-18(2)16-24(30)34-28(22)26;1-17-15-23(30)34-27-21(17)11-12-22-25(27)24(18-7-3-2-4-8-18)28(33-22)26(31)19-9-5-10-20(16-19)32-14-6-13-29;1-16-14-22(29)33-26-20(16)10-11-21-24(26)23(17-6-3-2-4-7-17)27(32-21)25(30)18-8-5-9-19(15-18)31-13-12-28/h6-8,10-16,18-19H,3-5,9,17H2,1-2H3;5-7,9-15,17-18H,3-4,8,16H2,1-2H3;2-4,7-13,16-17H,5-6,14-15H2,1H3;5-14,16-17H,3-4,15H2,1-2H3;2-5,7-12,15-16H,6,13-14H2,1H3;2-11,14-15H,12-13H2,1H3.
What are the key properties of 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one?
8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 2818.37 g/mol, XLogP of 42.20, 45 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-butoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(4-chlorobutoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(2-chloroethoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3-hexoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-8-(3-pentoxybenzoyl)-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 157296282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).