(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol

C16H16ClFO — CID 81050964

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2cccc(C)c2C)c(Cl)cc1F
InChIInChI=1S/C16H16ClFO/c1-9-5-4-6-12(11(9)3)16(19)13-7-10(2)15(18)8-14(13)17/h4-8,16,19H,1-3H3
InChIKeyYSIFMNFDMWPHQV-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.49
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 81050964) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
PubChem CID81050964
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2cccc(C)c2C)c(Cl)cc1F
InChIInChI=1S/C16H16ClFO/c1-9-5-4-6-12(11(9)3)16(19)13-7-10(2)15(18)8-14(13)17/h4-8,16,19H,1-3H3
InChIKeyYSIFMNFDMWPHQV-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-fluorophenyl)methanol
CID 81045704
1-chloro-2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050426
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 81050730
(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 81045703
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol (CID 81050964) is (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol is Cc1cc(C(O)c2cccc(C)c2C)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is YSIFMNFDMWPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-9-5-4-6-12(11(9)3)16(19)13-7-10(2)15(18)8-14(13)17/h4-8,16,19H,1-3H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-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)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 81050964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).