1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol

C15H13ClF2O — CID 154001159

IUPAC1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol
SMILESCc1cc(-c2cc(F)cc(F)c2)c(C(C)O)cc1Cl
InChIInChI=1S/C15H13ClF2O/c1-8-3-14(13(9(2)19)7-15(8)16)10-4-11(17)6-12(18)5-10/h3-7,9,19H,1-2H3
InChIKeyHLIWXEPFYCAFDX-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.65
Rot. Bonds2

About 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol

1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol (PubChem CID 154001159) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol
PubChem CID154001159
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol
SMILESCc1cc(-c2cc(F)cc(F)c2)c(C(C)O)cc1Cl
InChIInChI=1S/C15H13ClF2O/c1-8-3-14(13(9(2)19)7-15(8)16)10-4-11(17)6-12(18)5-10/h3-7,9,19H,1-2H3
InChIKeyHLIWXEPFYCAFDX-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88329
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CID 57399210
1-[2-Chloro-4-(trifluoromethyl)phenyl]ethan-1-ol
CID 84689375
(4-Chlorophenyl)(4-fluorophenyl)methanol
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4-Chloro-1-naphthalenemethanol
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1-[2-Chloro-4-(4-fluorophenyl)phenyl]hexane-1,6-diol
CID 49866046
(3'-Chloro-[1,1'-biphenyl]-3-yl)methanol
CID 1392400
(3-(4-Chlorophenyl)phenyl)methanol
CID 1393759
(6-Chloro-2-fluoro-3-methylphenyl)methanol
CID 2773674
1-[4-Chloro-3-(trifluoromethyl)phenyl]ethan-1-ol
CID 44890727
(4-Chloro-2,6-dimethylphenyl)methanol
CID 69545701

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol (CID 154001159) is 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol is Cc1cc(-c2cc(F)cc(F)c2)c(C(C)O)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol?
The InChIKey is HLIWXEPFYCAFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-8-3-14(13(9(2)19)7-15(8)16)10-4-11(17)6-12(18)5-10/h3-7,9,19H,1-2H3.
What are the key properties of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol?
1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol has a molecular weight of 282.72 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,5-difluorophenyl)-4-methylphenyl]ethanol is sourced from PubChem (CID 154001159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).