1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

C16H16ClFO — CID 105377706

IUPAC1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(Cl)cc(C(O)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C16H16ClFO/c1-10-5-13(7-14(17)6-10)16(19)9-12-8-15(18)4-3-11(12)2/h3-8,16,19H,9H2,1-2H3
InChIKeyRDSVTJJQZMTMDU-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.37
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105377706) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105377706
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(Cl)cc(C(O)Cc2cc(F)ccc2C)c1
InChIInChI=1S/C16H16ClFO/c1-10-5-13(7-14(17)6-10)16(19)9-12-8-15(18)4-3-11(12)2/h3-8,16,19H,9H2,1-2H3
InChIKeyRDSVTJJQZMTMDU-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
[1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105378083

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105377706) is 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1cc(Cl)cc(C(O)Cc2cc(F)ccc2C)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is RDSVTJJQZMTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-5-13(7-14(17)6-10)16(19)9-12-8-15(18)4-3-11(12)2/h3-8,16,19H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 278.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105377706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).