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

C15H13ClF2O — CID 105410822

IUPAC2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
SMILESOCC(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF2O/c16-13-3-1-11(2-4-13)12(9-19)5-10-6-14(17)8-15(18)7-10/h1-4,6-8,12,19H,5,9H2
InChIKeyUZQQGIWHNJPPCQ-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.94
Rot. Bonds4

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

2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol (PubChem CID 105410822) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
PubChem CID105410822
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
SMILESOCC(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClF2O/c16-13-3-1-11(2-4-13)12(9-19)5-10-6-14(17)8-15(18)7-10/h1-4,6-8,12,19H,5,9H2
InChIKeyUZQQGIWHNJPPCQ-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 105410820
3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 79437902
1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
CID 105410987
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 103041999
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79437398
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol (CID 105410822) is 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol is OCC(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is UZQQGIWHNJPPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c16-13-3-1-11(2-4-13)12(9-19)5-10-6-14(17)8-15(18)7-10/h1-4,6-8,12,19H,5,9H2.
What are the key properties of 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol?
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 282.72 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 105410822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).