(1S)-1-methoxy-1-phenylethanol

C9H12O2 — CID 141414609

IUPAC(1S)-1-methoxy-1-phenylethanol
SMILESCO[C@](C)(O)c1ccccc1
InChIInChI=1S/C9H12O2/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t9-/m0/s1
InChIKeyXEBGWKNWNKCQHU-VIFPVBQESA-N
MW152.19 g/mol
LogP1.50
Rot. Bonds2

About (1S)-1-methoxy-1-phenylethanol

(1S)-1-methoxy-1-phenylethanol (PubChem CID 141414609) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1S)-1-methoxy-1-phenylethanol.

Molecular Properties

Compound Name(1S)-1-methoxy-1-phenylethanol
PubChem CID141414609
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1S)-1-methoxy-1-phenylethanol
SMILESCO[C@](C)(O)c1ccccc1
InChIInChI=1S/C9H12O2/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t9-/m0/s1
InChIKeyXEBGWKNWNKCQHU-VIFPVBQESA-N
XLogP1.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1S)-1-methoxy-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2,3-diphenylbutan-2-ol
CID 3395875
aluminum;methoxy(phenyl)methanediol;trichloride
CID 173442251
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
1-buta-1,3-dien-2-yloxy-1-phenylethanol
CID 91057041
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
2,3,3,4,4-pentamethylpentan-2-ylbenzene
CID 59630443
[hydroperoxy(dimethoxy)methyl]benzene
CID 58623589
cyclopropyl-methoxy-phenylmethanol
CID 154503172
(1-methoxy-1-methylselanylethyl)benzene
CID 11831206

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methoxy-1-phenylethanol?
The IUPAC name of (1S)-1-methoxy-1-phenylethanol (CID 141414609) is (1S)-1-methoxy-1-phenylethanol.
What is the SMILES notation for (1S)-1-methoxy-1-phenylethanol?
The canonical SMILES for (1S)-1-methoxy-1-phenylethanol is CO[C@](C)(O)c1ccccc1.
What is the InChIKey of (1S)-1-methoxy-1-phenylethanol?
The InChIKey is XEBGWKNWNKCQHU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12O2/c1-9(10,11-2)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-methoxy-1-phenylethanol?
(1S)-1-methoxy-1-phenylethanol has a molecular weight of 152.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methoxy-1-phenylethanol is sourced from PubChem (CID 141414609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).