(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol

C10H13FO — CID 137495606

IUPAC(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@H](C)CO)c1F
InChIInChI=1S/C10H13FO/c1-7-4-3-5-9(10(7)11)8(2)6-12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyJLUSCMWYYFHKQT-MRVPVSSYSA-N
MW168.21 g/mol
LogP2.23
Rot. Bonds2

About (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol

(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 137495606) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
PubChem CID137495606
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@H](C)CO)c1F
InChIInChI=1S/C10H13FO/c1-7-4-3-5-9(10(7)11)8(2)6-12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyJLUSCMWYYFHKQT-MRVPVSSYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117280430
2-(2-bromo-3-methylphenyl)propan-1-ol
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2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
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1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
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(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
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1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
2-[2-(fluoromethyl)phenyl]propan-1-ol
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1-(2-fluoro-3-methylphenyl)undecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol (CID 137495606) is (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol is Cc1cccc([C@H](C)CO)c1F.
What is the InChIKey of (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is JLUSCMWYYFHKQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FO/c1-7-4-3-5-9(10(7)11)8(2)6-12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol?
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 168.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 137495606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).