(2S)-2-(2-methoxyphenyl)butan-2-ol

C11H16O2 — CID 93303591

IUPAC(2S)-2-(2-methoxyphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccccc1OC
InChIInChI=1S/C11H16O2/c1-4-11(2,12)9-7-5-6-8-10(9)13-3/h5-8,12H,4H2,1-3H3/t11-/m0/s1
InChIKeyJPSXUYQJZXPLMQ-NSHDSACASA-N
MW180.25 g/mol
LogP2.31
Rot. Bonds3

About (2S)-2-(2-methoxyphenyl)butan-2-ol

(2S)-2-(2-methoxyphenyl)butan-2-ol (PubChem CID 93303591) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenyl)butan-2-ol
PubChem CID93303591
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2S)-2-(2-methoxyphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccccc1OC
InChIInChI=1S/C11H16O2/c1-4-11(2,12)9-7-5-6-8-10(9)13-3/h5-8,12H,4H2,1-3H3/t11-/m0/s1
InChIKeyJPSXUYQJZXPLMQ-NSHDSACASA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
CID 71722424
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676
tert-butyl (3S)-3-hydroxy-3-(2-methoxyphenyl)butanoate
CID 125467754
2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
CID 65145061
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)propan-2-ol
CID 79744124
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenyl)butan-2-ol?
The IUPAC name of (2S)-2-(2-methoxyphenyl)butan-2-ol (CID 93303591) is (2S)-2-(2-methoxyphenyl)butan-2-ol.
What is the SMILES notation for (2S)-2-(2-methoxyphenyl)butan-2-ol?
The canonical SMILES for (2S)-2-(2-methoxyphenyl)butan-2-ol is CC[C@](C)(O)c1ccccc1OC.
What is the InChIKey of (2S)-2-(2-methoxyphenyl)butan-2-ol?
The InChIKey is JPSXUYQJZXPLMQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O2/c1-4-11(2,12)9-7-5-6-8-10(9)13-3/h5-8,12H,4H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenyl)butan-2-ol?
(2S)-2-(2-methoxyphenyl)butan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 93303591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).