(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol

C9H10F2O2 — CID 97293354

IUPAC(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
SMILESCOc1cc([C@H](C)O)cc(F)c1F
InChIInChI=1S/C9H10F2O2/c1-5(12)6-3-7(10)9(11)8(4-6)13-2/h3-5,12H,1-2H3/t5-/m0/s1
InChIKeyUWLUXYSJFGYCQU-YFKPBYRVSA-N
MW188.17 g/mol
LogP2.03
Rot. Bonds2

About (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol

(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol (PubChem CID 97293354) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
PubChem CID97293354
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
SMILESCOc1cc([C@H](C)O)cc(F)c1F
InChIInChI=1S/C9H10F2O2/c1-5(12)6-3-7(10)9(11)8(4-6)13-2/h3-5,12H,1-2H3/t5-/m0/s1
InChIKeyUWLUXYSJFGYCQU-YFKPBYRVSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510
4-(3,4-difluoro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171878022
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
1-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 58223484
S-[3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822281
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-one
CID 84783776
tert-butyl N-[3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832462
2-fluoro-6-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 55276230

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol (CID 97293354) is (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol is COc1cc([C@H](C)O)cc(F)c1F.
What is the InChIKey of (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol?
The InChIKey is UWLUXYSJFGYCQU-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-5(12)6-3-7(10)9(11)8(4-6)13-2/h3-5,12H,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol?
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol has a molecular weight of 188.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol is sourced from PubChem (CID 97293354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).