(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol

C16H16ClFO — CID 81050730

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2cc(C)c(F)cc2Cl)c1
InChIInChI=1S/C16H16ClFO/c1-9-4-5-10(2)12(6-9)16(19)13-7-11(3)15(18)8-14(13)17/h4-8,16,19H,1-3H3
InChIKeyKYSYTDSETPACBY-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.49
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol (PubChem CID 81050730) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
PubChem CID81050730
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2cc(C)c(F)cc2Cl)c1
InChIInChI=1S/C16H16ClFO/c1-9-4-5-10(2)12(6-9)16(19)13-7-11(3)15(18)8-14(13)17/h4-8,16,19H,1-3H3
InChIKeyKYSYTDSETPACBY-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 81045703
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81116914
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol (CID 81050730) is (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)c2cc(C)c(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
The InChIKey is KYSYTDSETPACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-9-4-5-10(2)12(6-9)16(19)13-7-11(3)15(18)8-14(13)17/h4-8,16,19H,1-3H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol has a molecular weight of 278.75 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 81050730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).