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

C17H18F2O2 — CID 66058898

IUPAC2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1CC(CO)Cc1ccc(F)cc1F
InChIInChI=1S/C17H18F2O2/c1-21-17-5-3-2-4-14(17)9-12(11-20)8-13-6-7-15(18)10-16(13)19/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyYDRSACHZNVHLNN-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.37
Rot. Bonds6

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

2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol (PubChem CID 66058898) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
PubChem CID66058898
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1CC(CO)Cc1ccc(F)cc1F
InChIInChI=1S/C17H18F2O2/c1-21-17-5-3-2-4-14(17)9-12(11-20)8-13-6-7-15(18)10-16(13)19/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyYDRSACHZNVHLNN-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-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059093
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
2-(ethoxymethyl)-3-(2-methoxyphenyl)propan-1-ol
CID 103985033
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
2-[(2-methoxyphenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627901

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol (CID 66058898) is 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol is COc1ccccc1CC(CO)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The InChIKey is YDRSACHZNVHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-21-17-5-3-2-4-14(17)9-12(11-20)8-13-6-7-15(18)10-16(13)19/h2-7,10,12,20H,8-9,11H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
2-[(2,4-difluorophenyl)methyl]-3-(2-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-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 66058898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).