1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol

C17H18F2O2 — CID 107516243

IUPAC1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccc(C)c(F)c2F)cc1
InChIInChI=1S/C17H18F2O2/c1-11-3-9-14(17(19)16(11)18)15(20)10-6-12-4-7-13(21-2)8-5-12/h3-5,7-9,15,20H,6,10H2,1-2H3
InChIKeyNHUZYJMAUCSWES-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.95
Rot. Bonds5

About 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol

1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 107516243) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID107516243
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2ccc(C)c(F)c2F)cc1
InChIInChI=1S/C17H18F2O2/c1-11-3-9-14(17(19)16(11)18)15(20)10-6-12-4-7-13(21-2)8-5-12/h3-5,7-9,15,20H,6,10H2,1-2H3
InChIKeyNHUZYJMAUCSWES-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 61086865
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 105101400
1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 81436909

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol (CID 107516243) is 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2ccc(C)c(F)c2F)cc1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is NHUZYJMAUCSWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-11-3-9-14(17(19)16(11)18)15(20)10-6-12-4-7-13(21-2)8-5-12/h3-5,7-9,15,20H,6,10H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol?
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 107516243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).