1-(4-fluoro-2-methylphenyl)propan-2-ol

C10H13FO — CID 91636360

IUPAC1-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1CC(C)O
InChIInChI=1S/C10H13FO/c1-7-5-10(11)4-3-9(7)6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeyHNBBGXUKERNNID-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.06
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)propan-2-ol

1-(4-fluoro-2-methylphenyl)propan-2-ol (PubChem CID 91636360) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)propan-2-ol
PubChem CID91636360
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1CC(C)O
InChIInChI=1S/C10H13FO/c1-7-5-10(11)4-3-9(7)6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeyHNBBGXUKERNNID-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331
5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
CID 114349443
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347515
5-fluoro-2-(2-hydroxypropyl)benzaldehyde
CID 117279046
2-bromo-1-(4-fluoro-2-methylphenyl)-4-methylpentan-3-one
CID 62393913
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
3-(4-fluoro-2-methylphenyl)-2-methylpropanal
CID 64665995
3-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-2-one
CID 114346459

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)propan-2-ol (CID 91636360) is 1-(4-fluoro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)propan-2-ol is Cc1cc(F)ccc1CC(C)O.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)propan-2-ol?
The InChIKey is HNBBGXUKERNNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-7-5-10(11)4-3-9(7)6-8(2)12/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)propan-2-ol?
1-(4-fluoro-2-methylphenyl)propan-2-ol has a molecular weight of 168.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 91636360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).