1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol

C12H17FO2 — CID 107128607

IUPAC1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
SMILESCCC(OC)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H17FO2/c1-4-11(15-3)12(14)9-6-5-8(2)10(13)7-9/h5-7,11-12,14H,4H2,1-3H3
InChIKeyRWENRALNZADVAZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol

1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol (PubChem CID 107128607) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
PubChem CID107128607
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
SMILESCCC(OC)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H17FO2/c1-4-11(15-3)12(14)9-6-5-8(2)10(13)7-9/h5-7,11-12,14H,4H2,1-3H3
InChIKeyRWENRALNZADVAZ-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776
[(1R)-1-(3-fluoro-4-methylphenyl)propyl] cyanate
CID 156524535
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107128616
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128664

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol (CID 107128607) is 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol is CCC(OC)C(O)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol?
The InChIKey is RWENRALNZADVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-4-11(15-3)12(14)9-6-5-8(2)10(13)7-9/h5-7,11-12,14H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol?
1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol is sourced from PubChem (CID 107128607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).