(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol

C10H13FO2 — CID 137495631

IUPAC(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)cc([C@H](C)CO)c1
InChIInChI=1S/C10H13FO2/c1-7(6-12)8-3-9(11)5-10(4-8)13-2/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1
InChIKeySHSPJNQAPNRBGF-SSDOTTSWSA-N
MW184.21 g/mol
LogP1.93
Rot. Bonds3

About (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol

(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol (PubChem CID 137495631) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
PubChem CID137495631
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)cc([C@H](C)CO)c1
InChIInChI=1S/C10H13FO2/c1-7(6-12)8-3-9(11)5-10(4-8)13-2/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1
InChIKeySHSPJNQAPNRBGF-SSDOTTSWSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 129053025
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
methyl 4-(3-fluoro-5-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895472
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303183
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol?
The IUPAC name of (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol (CID 137495631) is (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol is COc1cc(F)cc([C@H](C)CO)c1.
What is the InChIKey of (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol?
The InChIKey is SHSPJNQAPNRBGF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7(6-12)8-3-9(11)5-10(4-8)13-2/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol?
(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 137495631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).