[2-(2-methylbutyl)phenyl]methanol

C12H18O — CID 66698085

IUPAC[2-(2-methylbutyl)phenyl]methanol
SMILESCCC(C)Cc1ccccc1CO
InChIInChI=1S/C12H18O/c1-3-10(2)8-11-6-4-5-7-12(11)9-13/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyULTLKBBHKCAOGF-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.77
Rot. Bonds4

About [2-(2-methylbutyl)phenyl]methanol

[2-(2-methylbutyl)phenyl]methanol (PubChem CID 66698085) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is [2-(2-methylbutyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-methylbutyl)phenyl]methanol
PubChem CID66698085
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name[2-(2-methylbutyl)phenyl]methanol
SMILESCCC(C)Cc1ccccc1CO
InChIInChI=1S/C12H18O/c1-3-10(2)8-11-6-4-5-7-12(11)9-13/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyULTLKBBHKCAOGF-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
1-chloro-4-[2-(2-methylbutyl)phenyl]benzene
CID 143786749
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
CID 166548748
CID 166548748
[2-(3-aminopentyl)phenyl]methanol
CID 89332740
1,5-bis(3-methylpentyl)naphthalene
CID 18760982
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
4-[1-[2-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 141043253
[2-(1-bromopropyl)phenyl]methanol
CID 20523677

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutyl)phenyl]methanol?
The IUPAC name of [2-(2-methylbutyl)phenyl]methanol (CID 66698085) is [2-(2-methylbutyl)phenyl]methanol.
What is the SMILES notation for [2-(2-methylbutyl)phenyl]methanol?
The canonical SMILES for [2-(2-methylbutyl)phenyl]methanol is CCC(C)Cc1ccccc1CO.
What is the InChIKey of [2-(2-methylbutyl)phenyl]methanol?
The InChIKey is ULTLKBBHKCAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-10(2)8-11-6-4-5-7-12(11)9-13/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of [2-(2-methylbutyl)phenyl]methanol?
[2-(2-methylbutyl)phenyl]methanol has a molecular weight of 178.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutyl)phenyl]methanol is sourced from PubChem (CID 66698085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).