1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol

C14H19FO2 — CID 113490170

IUPAC1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CC2CCC2)cc1F
InChIInChI=1S/C14H19FO2/c1-14(16,9-10-4-3-5-10)11-6-7-13(17-2)12(15)8-11/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyYVFAVSIFBYRKSJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.23
Rot. Bonds4

About 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol

1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 113490170) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID113490170
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CC2CCC2)cc1F
InChIInChI=1S/C14H19FO2/c1-14(16,9-10-4-3-5-10)11-6-7-13(17-2)12(15)8-11/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyYVFAVSIFBYRKSJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 113490189
1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol
CID 107128199
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
2-(3-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82075819

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 113490170) is 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(C(C)(O)CC2CCC2)cc1F.
What is the InChIKey of 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is YVFAVSIFBYRKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-14(16,9-10-4-3-5-10)11-6-7-13(17-2)12(15)8-11/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol?
1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 238.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 113490170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).