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

C13H18O — CID 124509204

IUPACtrans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
SMILESCc1cccc([C@]2(O)CCC[C@H]2C)c1
InChIInChI=1S/C13H18O/c1-10-5-3-7-12(9-10)13(14)8-4-6-11(13)2/h3,5,7,9,11,14H,4,6,8H2,1-2H3/t11-,13+/m1/s1
InChIKeyNLZSNSPZMWXFEQ-YPMHNXCESA-N
MW190.29 g/mol
LogP3.00
Rot. Bonds1

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

trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol (PubChem CID 124509204) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
PubChem CID124509204
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
SMILESCc1cccc([C@]2(O)CCC[C@H]2C)c1
InChIInChI=1S/C13H18O/c1-10-5-3-7-12(9-10)13(14)8-4-6-11(13)2/h3,5,7,9,11,14H,4,6,8H2,1-2H3/t11-,13+/m1/s1
InChIKeyNLZSNSPZMWXFEQ-YPMHNXCESA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-2-methylcyclopentan-1-ol
CID 65049827
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
CID 114601384
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
3-[(1R,2R)-1-hydroxy-2-methylcyclopentyl]benzonitrile
CID 125426912
2-methyl-1-(3-propylphenyl)cyclopentan-1-ol
CID 116542607
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
CID 125426712

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol (CID 124509204) is trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol is Cc1cccc([C@]2(O)CCC[C@H]2C)c1.
What is the InChIKey of trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol?
The InChIKey is NLZSNSPZMWXFEQ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18O/c1-10-5-3-7-12(9-10)13(14)8-4-6-11(13)2/h3,5,7,9,11,14H,4,6,8H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol?
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.00, 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-methyl-1-(3-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 124509204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).