(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid

C29H28O6 — CID 163249705

IUPAC(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1C1C(C(=O)O)[C@@H](c2ccccc2OC)C1C(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C29H28O6/c1-33-22-13-7-5-11-20(22)24-26(28(30)31)25(21-12-6-8-14-23(21)34-2)27(24)29(32)35-19-15-17-9-3-4-10-18(17)16-19/h3-14,19,24-27H,15-16H2,1-2H3,(H,30,31)/t24-,25?,26?,27?/m1/s1
InChIKeyHFKXLDACQCGGEI-GTLRJAPNSA-N
MW472.54 g/mol
LogP4.61
Rot. Bonds7

About (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid

(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 163249705) has the molecular formula C29H28O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID163249705
Molecular FormulaC29H28O6
Molecular Weight472.54 g/mol
Exact Mass472.19
IUPAC Name(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1C1C(C(=O)O)[C@@H](c2ccccc2OC)C1C(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C29H28O6/c1-33-22-13-7-5-11-20(22)24-26(28(30)31)25(21-12-6-8-14-23(21)34-2)27(24)29(32)35-19-15-17-9-3-4-10-18(17)16-19/h3-14,19,24-27H,15-16H2,1-2H3,(H,30,31)/t24-,25?,26?,27?/m1/s1
InChIKeyHFKXLDACQCGGEI-GTLRJAPNSA-N
XLogP4.61
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-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

Related Compounds

2,3-dihydro-1H-inden-2-yl (4S)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylate;formic acid
CID 177327518
(4S)-3-(2,3-dihydro-1H-inden-2-yloxymethoxymethyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 167007862
(2S)-3-[3-(1,3-benzodioxol-5-yl)-5-[3-[(1S,3S)-2-carboxy-4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-3-(2-methoxyphenyl)cyclobutyl]-4-methoxyphenyl]phenoxy]carbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 167007110
1,2,3,4-tetrahydronaphthalen-2-yl 2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 86890661
(2R)-3-[2-(1,3-benzodioxol-5-yl)phenoxy]carbonyl-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 163249776
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]carbonyl-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 163249805
(1S,2S,3R)-2-(2-methoxyphenyl)-3-naphthalen-1-yloxycarbonylcyclobutane-1-carboxylic acid
CID 163249674
(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6989832
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
4-(2-methoxyphenyl)oxolane-2-carboxylic acid
CID 175762342
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 140974945

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid (CID 163249705) is (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid is COc1ccccc1C1C(C(=O)O)[C@@H](c2ccccc2OC)C1C(=O)OC1Cc2ccccc2C1.
What is the InChIKey of (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is HFKXLDACQCGGEI-GTLRJAPNSA-N. The full InChI is InChI=1S/C29H28O6/c1-33-22-13-7-5-11-20(22)24-26(28(30)31)25(21-12-6-8-14-23(21)34-2)27(24)29(32)35-19-15-17-9-3-4-10-18(17)16-19/h3-14,19,24-27H,15-16H2,1-2H3,(H,30,31)/t24-,25?,26?,27?/m1/s1.
What are the key properties of (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid?
(2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 472.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 163249705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).