1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol

C14H19FO — CID 114346880

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCc1cc(F)ccc1CC1(O)CCC(C)C1
InChIInChI=1S/C14H19FO/c1-10-5-6-14(16,8-10)9-12-3-4-13(15)7-11(12)2/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyNAZQBPYWVVCXHU-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.23
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol

1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 114346880) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID114346880
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCc1cc(F)ccc1CC1(O)CCC(C)C1
InChIInChI=1S/C14H19FO/c1-10-5-6-14(16,8-10)9-12-3-4-13(15)7-11(12)2/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyNAZQBPYWVVCXHU-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 64514526
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
2-[(4-fluoro-2-methylphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114346975
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol (CID 114346880) is 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol is Cc1cc(F)ccc1CC1(O)CCC(C)C1.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is NAZQBPYWVVCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-5-6-14(16,8-10)9-12-3-4-13(15)7-11(12)2/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol?
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 114346880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).