1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol

C13H16F2O2 — CID 107513043

IUPAC1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCc1ccc(C(O)C2(O)CCCC2)c(F)c1F
InChIInChI=1S/C13H16F2O2/c1-8-4-5-9(11(15)10(8)14)12(16)13(17)6-2-3-7-13/h4-5,12,16-17H,2-3,6-7H2,1H3
InChIKeyRCLMFGZLRBIEDJ-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.61
Rot. Bonds2

About 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol

1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 107513043) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID107513043
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESCc1ccc(C(O)C2(O)CCCC2)c(F)c1F
InChIInChI=1S/C13H16F2O2/c1-8-4-5-9(11(15)10(8)14)12(16)13(17)6-2-3-7-13/h4-5,12,16-17H,2-3,6-7H2,1H3
InChIKeyRCLMFGZLRBIEDJ-UHFFFAOYSA-N
XLogP2.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448384
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]cyclohexan-1-ol
CID 106762196
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107515341
1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 107560180
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol
CID 107512916
1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol
CID 103448343
1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol (CID 107513043) is 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol is Cc1ccc(C(O)C2(O)CCCC2)c(F)c1F.
What is the InChIKey of 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is RCLMFGZLRBIEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-8-4-5-9(11(15)10(8)14)12(16)13(17)6-2-3-7-13/h4-5,12,16-17H,2-3,6-7H2,1H3.
What are the key properties of 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol?
1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 242.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 107513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).