1-methoxy-1-phenylbutan-2-ol

C11H16O2 — CID 116756893

IUPAC1-methoxy-1-phenylbutan-2-ol
SMILESCCC(O)C(OC)c1ccccc1
InChIInChI=1S/C11H16O2/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h4-8,10-12H,3H2,1-2H3
InChIKeyDXBJWUPOZKYBSR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.14
Rot. Bonds4

About 1-methoxy-1-phenylbutan-2-ol

1-methoxy-1-phenylbutan-2-ol (PubChem CID 116756893) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-1-phenylbutan-2-ol.

Molecular Properties

Compound Name1-methoxy-1-phenylbutan-2-ol
PubChem CID116756893
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-1-phenylbutan-2-ol
SMILESCCC(O)C(OC)c1ccccc1
InChIInChI=1S/C11H16O2/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h4-8,10-12H,3H2,1-2H3
InChIKeyDXBJWUPOZKYBSR-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-methoxy-4-methylidene-1-phenylhexan-2-ol
CID 116756832
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
CID 102517713
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
1-(2-ethoxyphenyl)-2-methoxy-2-phenylethanol
CID 116757008
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenylbutan-2-ol?
The IUPAC name of 1-methoxy-1-phenylbutan-2-ol (CID 116756893) is 1-methoxy-1-phenylbutan-2-ol.
What is the SMILES notation for 1-methoxy-1-phenylbutan-2-ol?
The canonical SMILES for 1-methoxy-1-phenylbutan-2-ol is CCC(O)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenylbutan-2-ol?
The InChIKey is DXBJWUPOZKYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-10(12)11(13-2)9-7-5-4-6-8-9/h4-8,10-12H,3H2,1-2H3.
What are the key properties of 1-methoxy-1-phenylbutan-2-ol?
1-methoxy-1-phenylbutan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenylbutan-2-ol is sourced from PubChem (CID 116756893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).