trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol

C13H18O2 — CID 124509188

IUPACtrans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
SMILESCOc1cccc([C@@]2(O)CCC[C@@H]2C)c1
InChIInChI=1S/C13H18O2/c1-10-5-4-8-13(10,14)11-6-3-7-12(9-11)15-2/h3,6-7,9-10,14H,4-5,8H2,1-2H3/t10-,13+/m0/s1
InChIKeyDSGLQIRDBJXFIG-GXFFZTMASA-N
MW206.29 g/mol
LogP2.70
Rot. Bonds2

About trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol

trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol (PubChem CID 124509188) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
PubChem CID124509188
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Nametrans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
SMILESCOc1cccc([C@@]2(O)CCC[C@@H]2C)c1
InChIInChI=1S/C13H18O2/c1-10-5-4-8-13(10,14)11-6-3-7-12(9-11)15-2/h3,6-7,9-10,14H,4-5,8H2,1-2H3/t10-,13+/m0/s1
InChIKeyDSGLQIRDBJXFIG-GXFFZTMASA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
CID 22146616
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
CID 114601384
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
3-[(1R,2R)-1-hydroxy-2-methylcyclopentyl]benzonitrile
CID 125426912

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol (CID 124509188) is trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol is COc1cccc([C@@]2(O)CCC[C@@H]2C)c1.
What is the InChIKey of trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol?
The InChIKey is DSGLQIRDBJXFIG-GXFFZTMASA-N. The full InChI is InChI=1S/C13H18O2/c1-10-5-4-8-13(10,14)11-6-3-7-12(9-11)15-2/h3,6-7,9-10,14H,4-5,8H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol?
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 124509188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).