(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol

C16H16ClFO — CID 115807096

IUPAC(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C16H16ClFO/c1-9-7-11(3)13(8-10(9)2)16(19)12-5-4-6-14(18)15(12)17/h4-8,16,19H,1-3H3
InChIKeyGXOYDHDYUDHILL-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.49
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol

(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 115807096) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
PubChem CID115807096
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C16H16ClFO/c1-9-7-11(3)13(8-10(9)2)16(19)12-5-4-6-14(18)15(12)17/h4-8,16,19H,1-3H3
InChIKeyGXOYDHDYUDHILL-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-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516247
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 81461208
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol (CID 115807096) is (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cccc(F)c2Cl)cc1C.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is GXOYDHDYUDHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-9-7-11(3)13(8-10(9)2)16(19)12-5-4-6-14(18)15(12)17/h4-8,16,19H,1-3H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol?
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)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-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 115807096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).