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

C20H20O3 — CID 54044959

IUPAC(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1C(=O)O
InChIInChI=1S/C20H20O3/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/h2-6,8-11,13,17-18H,7,12H2,1H3,(H,22,23)/t13?,17-,18?/m1/s1
InChIKeyMKPQMFGOHQKNOE-LKGZKJKYSA-N
MW308.38 g/mol
LogP4.28
Rot. Bonds4

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

(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 54044959) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
PubChem CID54044959
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1C(=O)O
InChIInChI=1S/C20H20O3/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/h2-6,8-11,13,17-18H,7,12H2,1H3,(H,22,23)/t13?,17-,18?/m1/s1
InChIKeyMKPQMFGOHQKNOE-LKGZKJKYSA-N
XLogP4.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
CID 54044958
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
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
(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
[(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 (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid (CID 54044959) is (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid is CC1CC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1C(=O)O.
What is the InChIKey of (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is MKPQMFGOHQKNOE-LKGZKJKYSA-N. The full InChI is InChI=1S/C20H20O3/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/h2-6,8-11,13,17-18H,7,12H2,1H3,(H,22,23)/t13?,17-,18?/m1/s1.
What are the key properties of (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid?
(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54044959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).