8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C64H52N2O10 — CID 160722579

IUPAC8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(OCCN4Cc5ccccc5C4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C35H27NO5.C29H25NO5/c1-22-19-30(37)41-34-28(22)15-16-29-32(34)31(23-7-3-2-4-8-23)35(40-29)33(38)24-11-13-27(14-12-24)39-18-17-36-20-25-9-5-6-10-26(25)21-36;1-18-17-24(31)35-28-22(18)13-14-23-26(28)25(19-7-5-4-6-8-19)29(34-23)27(32)20-9-11-21(12-10-20)33-16-15-30(2)3/h2-16,19H,17-18,20-21H2,1H3;4-14,17H,15-16H2,1-3H3
InChIKeyRTHGJQAMBFVBMO-UHFFFAOYSA-N
MW1009.12 g/mol
LogP12.83
Rot. Bonds14

About 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 160722579) has the molecular formula C64H52N2O10 and a molecular weight of 1009.12 g/mol. Its IUPAC name is 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID160722579
Molecular FormulaC64H52N2O10
Molecular Weight1009.12 g/mol
Exact Mass1008.36
IUPAC Name8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(OCCN4Cc5ccccc5C4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C35H27NO5.C29H25NO5/c1-22-19-30(37)41-34-28(22)15-16-29-32(34)31(23-7-3-2-4-8-23)35(40-29)33(38)24-11-13-27(14-12-24)39-18-17-36-20-25-9-5-6-10-26(25)21-36;1-18-17-24(31)35-28-22(18)13-14-23-26(28)25(19-7-5-4-6-8-19)29(34-23)27(32)20-9-11-21(12-10-20)33-16-15-30(2)3/h2-16,19H,17-18,20-21H2,1H3;4-14,17H,15-16H2,1-3H3
InChIKeyRTHGJQAMBFVBMO-UHFFFAOYSA-N
XLogP12.83
TPSA145.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.12
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[3-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599241
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
8-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44599086
4-methyl-8-[3-[3-(4-methylpiperazin-1-yl)propoxy]benzoyl]-9-phenylfuro[2,3-h]chromen-2-one
CID 44600371
8-[4-(dimethylamino)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008436
4-methyl-9-phenyl-8-[3-(3-piperidin-1-ylpropoxy)benzoyl]furo[2,3-h]chromen-2-one
CID 44600368
8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457
8-(3-but-3-enoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600205
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
CID 44599243
4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 44554561
3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)benzonitrile
CID 44554728

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 160722579) is 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(OCCN4Cc5ccccc5C4)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is RTHGJQAMBFVBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO5.C29H25NO5/c1-22-19-30(37)41-34-28(22)15-16-29-32(34)31(23-7-3-2-4-8-23)35(40-29)33(38)24-11-13-27(14-12-24)39-18-17-36-20-25-9-5-6-10-26(25)21-36;1-18-17-24(31)35-28-22(18)13-14-23-26(28)25(19-7-5-4-6-8-19)29(34-23)27(32)20-9-11-21(12-10-20)33-16-15-30(2)3/h2-16,19H,17-18,20-21H2,1H3;4-14,17H,15-16H2,1-3H3.
What are the key properties of 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 1009.12 g/mol, XLogP of 12.83, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 160722579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).