1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol

C12H16ClFO2 — CID 103047797

IUPAC1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
SMILESCOCC(C)C(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFO2/c1-8(7-16-2)12(15)6-9-5-10(13)3-4-11(9)14/h3-5,8,12,15H,6-7H2,1-2H3
InChIKeyNGUGPXSTGLNGGZ-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.66
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol

1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol (PubChem CID 103047797) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
PubChem CID103047797
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
SMILESCOCC(C)C(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFO2/c1-8(7-16-2)12(15)6-9-5-10(13)3-4-11(9)14/h3-5,8,12,15H,6-7H2,1-2H3
InChIKeyNGUGPXSTGLNGGZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol
CID 103047666
N-[(5-chloro-2-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 115762111
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol (CID 103047797) is 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol is COCC(C)C(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol?
The InChIKey is NGUGPXSTGLNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-8(7-16-2)12(15)6-9-5-10(13)3-4-11(9)14/h3-5,8,12,15H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol?
1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol has a molecular weight of 246.71 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 103047797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).