2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol

C17H18F2O2 — CID 66059508

IUPAC2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2O2/c1-21-16-4-2-3-12(9-16)7-13(11-20)8-14-5-6-15(18)10-17(14)19/h2-6,9-10,13,20H,7-8,11H2,1H3
InChIKeyYJQNIIJSYFUFCR-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.37
Rot. Bonds6

About 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol

2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 66059508) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
PubChem CID66059508
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2O2/c1-21-16-4-2-3-12(9-16)7-13(11-20)8-14-5-6-15(18)10-17(14)19/h2-6,9-10,13,20H,7-8,11H2,1H3
InChIKeyYJQNIIJSYFUFCR-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
4-chloro-1-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-2-fluorobenzene
CID 114861945
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
2-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376013
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
1-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984617
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059296
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol (CID 66059508) is 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol is COc1cccc(CC(CO)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is YJQNIIJSYFUFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-21-16-4-2-3-12(9-16)7-13(11-20)8-14-5-6-15(18)10-17(14)19/h2-6,9-10,13,20H,7-8,11H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 66059508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).