trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol

C13H18O — CID 91657986

IUPACtrans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol
SMILESCc1cccc([C@H]2CCC[C@@H]2O)c1C
InChIInChI=1S/C13H18O/c1-9-5-3-6-11(10(9)2)12-7-4-8-13(12)14/h3,5-6,12-14H,4,7-8H2,1-2H3/t12-,13+/m1/s1
InChIKeyOOGBVORVTHPSFW-OLZOCXBDSA-N
MW190.29 g/mol
LogP2.93
Rot. Bonds1

About trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol

trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol (PubChem CID 91657986) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol
PubChem CID91657986
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol
SMILESCc1cccc([C@H]2CCC[C@@H]2O)c1C
InChIInChI=1S/C13H18O/c1-9-5-3-6-11(10(9)2)12-7-4-8-13(12)14/h3,5-6,12-14H,4,7-8H2,1-2H3/t12-,13+/m1/s1
InChIKeyOOGBVORVTHPSFW-OLZOCXBDSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
1-(cyclohexen-1-yl)-2,3-dimethylbenzene;2-(2,3-dimethylphenyl)cyclohexan-1-ol
CID 163412584
N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034688
2-(4-fluoro-2-methylphenyl)cyclopentan-1-ol
CID 62790245
(2,3-dimethylphenyl)cyclodecane
CID 21161883
carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)
CID 162285135
2-(2,3-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 81008692
2-(2-fluorophenyl)cyclopentan-1-ol
CID 62596714
cis-(1S,2S)-2-(2-chlorophenyl)cyclopentan-1-ol
CID 94503761
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol (CID 91657986) is trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol is Cc1cccc([C@H]2CCC[C@@H]2O)c1C.
What is the InChIKey of trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol?
The InChIKey is OOGBVORVTHPSFW-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18O/c1-9-5-3-6-11(10(9)2)12-7-4-8-13(12)14/h3,5-6,12-14H,4,7-8H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol?
trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 91657986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).