[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone

C16H22O2 — CID 116921925

IUPAC[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H22O2/c1-12(2)10-13-4-6-14(7-5-13)15(18)16(11-17)8-3-9-16/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyRISOSFGIMVIDBZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.23
Rot. Bonds5

About [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone

[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 116921925) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID116921925
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H22O2/c1-12(2)10-13-4-6-14(7-5-13)15(18)16(11-17)8-3-9-16/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyRISOSFGIMVIDBZ-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)benzoyl]cyclobutane-1-carbonitrile
CID 116921488
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
1-[[4-(2-methylpropyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115242698
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
CID 107000654
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921091
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone (CID 116921925) is [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)C2(CO)CCC2)cc1.
What is the InChIKey of [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is RISOSFGIMVIDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)10-13-4-6-14(7-5-13)15(18)16(11-17)8-3-9-16/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone?
[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 246.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 116921925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).