1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol

C17H18ClFO2 — CID 64769915

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFO2/c1-17(2,11-4-7-13(19)8-5-11)16(20)14-10-12(18)6-9-15(14)21-3/h4-10,16,20H,1-3H3
InChIKeyXLXBUDRQLGNGOO-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.50
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol

1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 64769915) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
PubChem CID64769915
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFO2/c1-17(2,11-4-7-13(19)8-5-11)16(20)14-10-12(18)6-9-15(14)21-3/h4-10,16,20H,1-3H3
InChIKeyXLXBUDRQLGNGOO-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064289
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722706
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol (CID 64769915) is 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol is COc1ccc(Cl)cc1C(O)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is XLXBUDRQLGNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-17(2,11-4-7-13(19)8-5-11)16(20)14-10-12(18)6-9-15(14)21-3/h4-10,16,20H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol?
1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 308.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 64769915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).