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

C16H16F2O — CID 114930963

IUPAC1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
SMILESCc1cccc(C(C)(O)Cc2c(F)cccc2F)c1
InChIInChI=1S/C16H16F2O/c1-11-5-3-6-12(9-11)16(2,19)10-13-14(17)7-4-8-15(13)18/h3-9,19H,10H2,1-2H3
InChIKeyBLRVLXUULFSZGA-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.72
Rot. Bonds3

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

1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol (PubChem CID 114930963) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
PubChem CID114930963
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
SMILESCc1cccc(C(C)(O)Cc2c(F)cccc2F)c1
InChIInChI=1S/C16H16F2O/c1-11-5-3-6-12(9-11)16(2,19)10-13-14(17)7-4-8-15(13)18/h3-9,19H,10H2,1-2H3
InChIKeyBLRVLXUULFSZGA-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 114931026
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol (CID 114930963) is 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol is Cc1cccc(C(C)(O)Cc2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol?
The InChIKey is BLRVLXUULFSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11-5-3-6-12(9-11)16(2,19)10-13-14(17)7-4-8-15(13)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol?
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol is sourced from PubChem (CID 114930963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).