[(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone

C25H22O2 — CID 102200943

IUPAC[(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone
SMILESCOc1ccccc1[C@H]1C=C(c2ccccc2)C[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C25H22O2/c1-27-24-15-9-8-14-21(24)22-16-20(18-10-4-2-5-11-18)17-23(22)25(26)19-12-6-3-7-13-19/h2-16,22-23H,17H2,1H3/t22-,23+/m1/s1
InChIKeyJLLGHUJGPQNAGE-PKTZIBPZSA-N
MW354.45 g/mol
LogP5.77
Rot. Bonds5

About [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone

[(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone (PubChem CID 102200943) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone
PubChem CID102200943
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name[(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone
SMILESCOc1ccccc1[C@H]1C=C(c2ccccc2)C[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C25H22O2/c1-27-24-15-9-8-14-21(24)22-16-20(18-10-4-2-5-11-18)17-23(22)25(26)19-12-6-3-7-13-19/h2-16,22-23H,17H2,1H3/t22-,23+/m1/s1
InChIKeyJLLGHUJGPQNAGE-PKTZIBPZSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[5-(2-methoxyphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]methanone
CID 58025782
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)cyclopent-2-en-1-yl]-(2-methylphenyl)methanone
CID 58025957
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
methyl (3-phenylcyclobut-2-en-1-yl) carbonate
CID 16656104
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
phenyl-(3-phenylcyclopent-2-en-1-yl)methanone
CID 174917838
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
3-(2-methoxyphenyl)benzoic acid
CID 2759547
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone?
The IUPAC name of [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone (CID 102200943) is [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone.
What is the SMILES notation for [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone?
The canonical SMILES for [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone is COc1ccccc1[C@H]1C=C(c2ccccc2)C[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone?
The InChIKey is JLLGHUJGPQNAGE-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H22O2/c1-27-24-15-9-8-14-21(24)22-16-20(18-10-4-2-5-11-18)17-23(22)25(26)19-12-6-3-7-13-19/h2-16,22-23H,17H2,1H3/t22-,23+/m1/s1.
What are the key properties of [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone?
[(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone has a molecular weight of 354.45 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-methoxyphenyl)-4-phenylcyclopent-3-en-1-yl]-phenylmethanone is sourced from PubChem (CID 102200943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).