(2S)-2-methoxy-2-phenylethanol

C9H12O2 — CID 643318

IUPAC(2S)-2-methoxy-2-phenylethanol
SMILESCO[C@H](CO)c1ccccc1
InChIInChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1
InChIKeyJDTUPLBMGDDPJS-SECBINFHSA-N
MW152.19 g/mol
LogP1.37
Rot. Bonds3

About (2S)-2-methoxy-2-phenylethanol

(2S)-2-methoxy-2-phenylethanol (PubChem CID 643318) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenylethanol
PubChem CID643318
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2S)-2-methoxy-2-phenylethanol
SMILESCO[C@H](CO)c1ccccc1
InChIInChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1
InChIKeyJDTUPLBMGDDPJS-SECBINFHSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Styrene Oxide
CID 7276
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
(S)-styrene oxide
CID 114946
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethyl Acetate
CID 62341
1-Phenylethanol, (R)-
CID 637516
Benzyl ethyl ether
CID 10873
alpha-Methylbenzyl formate
CID 346286
1-Phenylethanol, (S)-
CID 443135

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenylethanol?
The IUPAC name of (2S)-2-methoxy-2-phenylethanol (CID 643318) is (2S)-2-methoxy-2-phenylethanol.
What is the SMILES notation for (2S)-2-methoxy-2-phenylethanol?
The canonical SMILES for (2S)-2-methoxy-2-phenylethanol is CO[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenylethanol?
The InChIKey is JDTUPLBMGDDPJS-SECBINFHSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-methoxy-2-phenylethanol?
(2S)-2-methoxy-2-phenylethanol has a molecular weight of 152.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenylethanol is sourced from PubChem (CID 643318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).