[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol

C16H24O2 — CID 115838200

IUPAC[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
SMILESCC(C)Cc1cccc(C(O)C2CCCCO2)c1
InChIInChI=1S/C16H24O2/c1-12(2)10-13-6-5-7-14(11-13)16(17)15-8-3-4-9-18-15/h5-7,11-12,15-17H,3-4,8-10H2,1-2H3
InChIKeyVETXVEBZHTVXCQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.49
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol

[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol (PubChem CID 115838200) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
PubChem CID115838200
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
SMILESCC(C)Cc1cccc(C(O)C2CCCCO2)c1
InChIInChI=1S/C16H24O2/c1-12(2)10-13-6-5-7-14(11-13)16(17)15-8-3-4-9-18-15/h5-7,11-12,15-17H,3-4,8-10H2,1-2H3
InChIKeyVETXVEBZHTVXCQ-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
(4-ethylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543719
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
(3,4-diethylphenyl)-(oxolan-2-yl)methanol
CID 113319177
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
CID 62214641
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544706

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol (CID 115838200) is [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol is CC(C)Cc1cccc(C(O)C2CCCCO2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol?
The InChIKey is VETXVEBZHTVXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)10-13-6-5-7-14(11-13)16(17)15-8-3-4-9-18-15/h5-7,11-12,15-17H,3-4,8-10H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol?
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol is sourced from PubChem (CID 115838200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).