2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol

C17H18F2O — CID 114934852

IUPAC2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1c(F)cccc1F
InChIInChI=1S/C17H18F2O/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-16(18)7-4-8-17(15)19/h2-8,13,20H,9-11H2,1H3
InChIKeyUJUMUXJARJKDER-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.67
Rot. Bonds5

About 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol

2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 114934852) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID114934852
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1c(F)cccc1F
InChIInChI=1S/C17H18F2O/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-16(18)7-4-8-17(15)19/h2-8,13,20H,9-11H2,1H3
InChIKeyUJUMUXJARJKDER-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059093
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
1-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
[3-fluoro-2-[2-(hydroxymethyl)butyl]phenyl]methylcarbamic acid
CID 135149630
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol (CID 114934852) is 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CC(CO)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is UJUMUXJARJKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-16(18)7-4-8-17(15)19/h2-8,13,20H,9-11H2,1H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol?
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 114934852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).