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

C16H16ClFO — CID 65296780

IUPAC(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C)c(F)c(C)c2)cc1Cl
InChIInChI=1S/C16H16ClFO/c1-9-4-5-12(8-14(9)17)16(19)13-6-10(2)15(18)11(3)7-13/h4-8,16,19H,1-3H3
InChIKeyLOKBFDCQZXQOPP-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.49
Rot. Bonds2

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

(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol (PubChem CID 65296780) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
PubChem CID65296780
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C)c(F)c(C)c2)cc1Cl
InChIInChI=1S/C16H16ClFO/c1-9-4-5-12(8-14(9)17)16(19)13-6-10(2)15(18)11(3)7-13/h4-8,16,19H,1-3H3
InChIKeyLOKBFDCQZXQOPP-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

(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol (CID 65296780) is (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol is Cc1ccc(C(O)c2cc(C)c(F)c(C)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The InChIKey is LOKBFDCQZXQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-9-4-5-12(8-14(9)17)16(19)13-6-10(2)15(18)11(3)7-13/h4-8,16,19H,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-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 (3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 65296780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).