methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate

C31H28O7 — CID 69440282

IUPACmethyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2c(OC)c(OC)ccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
InChIInChI=1S/C31H28O7/c1-33-21-10-6-19(7-11-21)31(20-8-12-22(34-2)13-9-20)17-16-24-26(30(32)37-5)18-25-23(28(24)38-31)14-15-27(35-3)29(25)36-4/h6-18H,1-5H3
InChIKeyOSIFJPJJUQIRCC-UHFFFAOYSA-N
MW512.56 g/mol
LogP6.01
Rot. Bonds7

About methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate

methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate (PubChem CID 69440282) has the molecular formula C31H28O7 and a molecular weight of 512.56 g/mol. Its IUPAC name is methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
PubChem CID69440282
Molecular FormulaC31H28O7
Molecular Weight512.56 g/mol
Exact Mass512.18
IUPAC Namemethyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2c(OC)c(OC)ccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
InChIInChI=1S/C31H28O7/c1-33-21-10-6-19(7-11-21)31(20-8-12-22(34-2)13-9-20)17-16-24-26(30(32)37-5)18-25-23(28(24)38-31)14-15-27(35-3)29(25)36-4/h6-18H,1-5H3
InChIKeyOSIFJPJJUQIRCC-UHFFFAOYSA-N
XLogP6.01
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 70189268
methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
CID 142000328
methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
CID 15883927
methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
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
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
methyl 2-(4-methoxyphenyl)-6-(2-methylprop-2-enoyloxy)-2-phenylbenzo[h]chromene-5-carboxylate
CID 102424347
2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid
CID 156852926
ethane;methyl 8-[4-(4-methylphenyl)phenyl]-2-phenyl-2-(4-pyrrolidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 143661435
methyl 2-(4-methoxyphenyl)-9-methyl-5-morpholin-4-yl-2-phenylbenzo[h]chromene-6-carboxylate
CID 18316928
5,5-bis(4-methoxyphenyl)-6,22-dioxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one
CID 15451135

Frequently Asked Questions

What is the IUPAC name of methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate (CID 69440282) is methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate is COC(=O)c1cc2c(OC)c(OC)ccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2.
What is the InChIKey of methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
The InChIKey is OSIFJPJJUQIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O7/c1-33-21-10-6-19(7-11-21)31(20-8-12-22(34-2)13-9-20)17-16-24-26(30(32)37-5)18-25-23(28(24)38-31)14-15-27(35-3)29(25)36-4/h6-18H,1-5H3.
What are the key properties of methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate has a molecular weight of 512.56 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate is sourced from PubChem (CID 69440282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).