(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol

C12H18O2 — CID 14871890

IUPAC(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
SMILESCO[C@@H](c1ccccc1)C(C)(C)CO
InChIInChI=1S/C12H18O2/c1-12(2,9-13)11(14-3)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-/m0/s1
InChIKeyPXFOOGCACLSVJR-NSHDSACASA-N
MW194.27 g/mol
LogP2.39
Rot. Bonds4

About (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol

(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol (PubChem CID 14871890) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
PubChem CID14871890
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
SMILESCO[C@@H](c1ccccc1)C(C)(C)CO
InChIInChI=1S/C12H18O2/c1-12(2,9-13)11(14-3)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-/m0/s1
InChIKeyPXFOOGCACLSVJR-NSHDSACASA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol 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

2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
(3-hydroxy-2,2-dimethyl-1-phenylpropyl) N-tert-butylcarbamate
CID 175310524
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
(2-bromo-2,2-difluoro-1-methoxyethyl)benzene
CID 165349696
tert-butyl (2S,3S)-2-bromo-3-methoxy-2-methyl-3-phenylpropanoate
CID 10664094
(2R)-2-methoxy-2-phenylethanol
CID 6950345
3,3-dimethoxy-2-methyl-1-phenylpropane-1,2-diol
CID 85272252
2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
CID 13184442
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
dihydroxyphosphanyl dihydrogen phosphite;2-(hydroxymethyl)-2-[phenoxy(phenyl)methyl]propane-1,3-diol
CID 174345716

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol?
The IUPAC name of (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol (CID 14871890) is (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol.
What is the SMILES notation for (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol?
The canonical SMILES for (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol is CO[C@@H](c1ccccc1)C(C)(C)CO.
What is the InChIKey of (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol?
The InChIKey is PXFOOGCACLSVJR-NSHDSACASA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,9-13)11(14-3)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol?
(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol is sourced from PubChem (CID 14871890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).