ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid

C22H26O3 — CID 54044958

IUPACethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCC.CC1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1C(=O)O
InChIInChI=1S/C20H20O3.C2H6/c1-13-7-12-17(18(13)20(22)23)19(21)16-10-8-15(9-11-16)14-5-3-2-4-6-14;1-2/h2-6,8-11,13,17-18H,7,12H2,1H3,(H,22,23);1-2H3/t13?,17-,18?;/m1./s1
InChIKeyLOXGTZAUCNRPSE-QOECITOCSA-N
MW338.45 g/mol
LogP5.31
Rot. Bonds4

About ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid

ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 54044958) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
PubChem CID54044958
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Nameethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCC.CC1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1C(=O)O
InChIInChI=1S/C20H20O3.C2H6/c1-13-7-12-17(18(13)20(22)23)19(21)16-10-8-15(9-11-16)14-5-3-2-4-6-14;1-2/h2-6,8-11,13,17-18H,7,12H2,1H3,(H,22,23);1-2H3/t13?,17-,18?;/m1./s1
InChIKeyLOXGTZAUCNRPSE-QOECITOCSA-N
XLogP5.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-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

(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
CID 54044959
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
(3aS,6aR)-4-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione;bis(1,1'-biphenyl);3,3-dimethyloxetane-2,4-dione;2,2-dimethyl-3-oxo-3-(4-phenylphenyl)propanoic acid;ethane;methane;methyl 3-chloro-2,2-dimethyl-3-oxopropanoate;methyl 2,2-dimethyl-3-oxo-3-(4-phenylphenyl)propanoate;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid;(5S)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid;bis(molecular iodine)
CID 158812769
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
2-[4-(4-chlorophenyl)benzoyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 22472871
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
2-[4-(4-chlorophenyl)benzoyl]-5-(2-methoxycarbonylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 22116403
1-[(1S,2R,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102181829
1-[(1R,2S,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102579014

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid (CID 54044958) is ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid is CC.CC1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1C(=O)O.
What is the InChIKey of ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is LOXGTZAUCNRPSE-QOECITOCSA-N. The full InChI is InChI=1S/C20H20O3.C2H6/c1-13-7-12-17(18(13)20(22)23)19(21)16-10-8-15(9-11-16)14-5-3-2-4-6-14;1-2/h2-6,8-11,13,17-18H,7,12H2,1H3,(H,22,23);1-2H3/t13?,17-,18?;/m1./s1.
What are the key properties of ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54044958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).