1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol

C16H22O — CID 114601384

IUPAC1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H22O/c1-12-5-4-10-16(12,17)15-9-3-8-14(11-15)13-6-2-7-13/h3,8-9,11-13,17H,2,4-7,10H2,1H3
InChIKeyYYSFFYNGIPYYSR-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.96
Rot. Bonds2

About 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol

1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol (PubChem CID 114601384) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
PubChem CID114601384
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H22O/c1-12-5-4-10-16(12,17)15-9-3-8-14(11-15)13-6-2-7-13/h3,8-9,11-13,17H,2,4-7,10H2,1H3
InChIKeyYYSFFYNGIPYYSR-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
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
1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 114601365
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
2-methyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 65049664
1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 114601509
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
CID 114601502
1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117363257

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol (CID 114601384) is 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol is CC1CCCC1(O)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol?
The InChIKey is YYSFFYNGIPYYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-5-4-10-16(12,17)15-9-3-8-14(11-15)13-6-2-7-13/h3,8-9,11-13,17H,2,4-7,10H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol?
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 114601384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).