2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid

C33H22F2O4 — CID 156852926

IUPAC2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)O)c3c(c2c1)OC(c1ccc(F)cc1)(c1ccc(F)cc1)C=C3
InChIInChI=1S/C33H22F2O4/c1-38-25-15-16-26-28(19-25)31-27(30(32(36)37)29(26)20-5-3-2-4-6-20)17-18-33(39-31,21-7-11-23(34)12-8-21)22-9-13-24(35)14-10-22/h2-19H,1H3,(H,36,37)
InChIKeyIAFKXBCNYAXPRF-UHFFFAOYSA-N
MW520.53 g/mol
LogP7.84
Rot. Bonds5

About 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid

2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid (PubChem CID 156852926) has the molecular formula C33H22F2O4 and a molecular weight of 520.53 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid
PubChem CID156852926
Molecular FormulaC33H22F2O4
Molecular Weight520.53 g/mol
Exact Mass520.15
IUPAC Name2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)O)c3c(c2c1)OC(c1ccc(F)cc1)(c1ccc(F)cc1)C=C3
InChIInChI=1S/C33H22F2O4/c1-38-25-15-16-26-28(19-25)31-27(30(32(36)37)29(26)20-5-3-2-4-6-20)17-18-33(39-31,21-7-11-23(34)12-8-21)22-9-13-24(35)14-10-22/h2-19H,1H3,(H,36,37)
InChIKeyIAFKXBCNYAXPRF-UHFFFAOYSA-N
XLogP7.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.53
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid?
The IUPAC name of 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid (CID 156852926) is 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid is COc1ccc2c(-c3ccccc3)c(C(=O)O)c3c(c2c1)OC(c1ccc(F)cc1)(c1ccc(F)cc1)C=C3.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid?
The InChIKey is IAFKXBCNYAXPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F2O4/c1-38-25-15-16-26-28(19-25)31-27(30(32(36)37)29(26)20-5-3-2-4-6-20)17-18-33(39-31,21-7-11-23(34)12-8-21)22-9-13-24(35)14-10-22/h2-19H,1H3,(H,36,37).
What are the key properties of 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid?
2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid has a molecular weight of 520.53 g/mol, XLogP of 7.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid is sourced from PubChem (CID 156852926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).