trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol

C12H15FO — CID 124512088

IUPACtrans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol
SMILESCc1cc(F)cc([C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C12H15FO/c1-8-5-9(7-10(13)6-8)11-3-2-4-12(11)14/h5-7,11-12,14H,2-4H2,1H3/t11-,12+/m0/s1
InChIKeyYLMLPWIARXBSEM-NWDGAFQWSA-N
MW194.25 g/mol
LogP2.76
Rot. Bonds1

About trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol

trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol (PubChem CID 124512088) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol
PubChem CID124512088
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Nametrans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol
SMILESCc1cc(F)cc([C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C12H15FO/c1-8-5-9(7-10(13)6-8)11-3-2-4-12(11)14/h5-7,11-12,14H,2-4H2,1H3/t11-,12+/m0/s1
InChIKeyYLMLPWIARXBSEM-NWDGAFQWSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol (CID 124512088) is trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol is Cc1cc(F)cc([C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol?
The InChIKey is YLMLPWIARXBSEM-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-5-9(7-10(13)6-8)11-3-2-4-12(11)14/h5-7,11-12,14H,2-4H2,1H3/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol?
trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol has a molecular weight of 194.25 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 124512088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).