methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate

C30H26O5 — CID 142000328

IUPACmethyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2c(C)cccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
InChIInChI=1S/C30H26O5/c1-19-6-5-7-24-26(19)18-27(29(31)34-4)25-16-17-30(35-28(24)25,20-8-12-22(32-2)13-9-20)21-10-14-23(33-3)15-11-21/h5-18H,1-4H3
InChIKeyIEPNZEZWPYLREF-UHFFFAOYSA-N
MW466.53 g/mol
LogP6.30
Rot. Bonds5

About methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate

methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate (PubChem CID 142000328) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
PubChem CID142000328
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Namemethyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2c(C)cccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
InChIInChI=1S/C30H26O5/c1-19-6-5-7-24-26(19)18-27(29(31)34-4)25-16-17-30(35-28(24)25,20-8-12-22(32-2)13-9-20)21-10-14-23(33-3)15-11-21/h5-18H,1-4H3
InChIKeyIEPNZEZWPYLREF-UHFFFAOYSA-N
XLogP6.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate 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

methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 70189268
methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 69440282
methyl 6-ethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 67813915
methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
methyl 4-[5-(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]benzoate
CID 168851900
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
CID 15883927
methyl 2-(4-methoxyphenyl)-6-(2-methylprop-2-enoyloxy)-2-phenylbenzo[h]chromene-5-carboxylate
CID 102424347
methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-phenyl-8-[(4-phenylphenyl)carbamoyl]benzo[h]chromene-5-carboxylate
CID 66995549
methyl 9-(dimethylamino)-2-(4-methoxyphenyl)-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 21076405
3,3-bis(4-methoxyphenyl)-N-(4-methylphenyl)benzo[f]chromene-5-carboxamide
CID 3124843
10,10-bis(4-methoxyphenyl)-4,11-dioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),8,13,15-hexaen-5-one
CID 15508915

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate (CID 142000328) is methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate is COC(=O)c1cc2c(C)cccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2.
What is the InChIKey of methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate?
The InChIKey is IEPNZEZWPYLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O5/c1-19-6-5-7-24-26(19)18-27(29(31)34-4)25-16-17-30(35-28(24)25,20-8-12-22(32-2)13-9-20)21-10-14-23(33-3)15-11-21/h5-18H,1-4H3.
What are the key properties of methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate?
methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate has a molecular weight of 466.53 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate is sourced from PubChem (CID 142000328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).