3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol

C16H16F2O — CID 105410820

IUPAC3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O/c1-11-2-4-13(5-3-11)14(10-19)6-12-7-15(17)9-16(18)8-12/h2-5,7-9,14,19H,6,10H2,1H3
InChIKeyHCNGNILDCFSNLJ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.59
Rot. Bonds4

About 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol

3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 105410820) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID105410820
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O/c1-11-2-4-13(5-3-11)14(10-19)6-12-7-15(17)9-16(18)8-12/h2-5,7-9,14,19H,6,10H2,1H3
InChIKeyHCNGNILDCFSNLJ-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
CID 79436768
3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79437313
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
3-(2,6-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79435910
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol (CID 105410820) is 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CO)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is HCNGNILDCFSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11-2-4-13(5-3-11)14(10-19)6-12-7-15(17)9-16(18)8-12/h2-5,7-9,14,19H,6,10H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol?
3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 262.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105410820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).