(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol

C16H16ClFO2 — CID 81045703

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H16ClFO2/c1-9-4-5-15(20-3)12(6-9)16(19)11-7-10(2)14(18)8-13(11)17/h4-8,16,19H,1-3H3
InChIKeyBYXXHRMDKUWIIL-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.19
Rot. Bonds3

About (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol (PubChem CID 81045703) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
PubChem CID81045703
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H16ClFO2/c1-9-4-5-15(20-3)12(6-9)16(19)11-7-10(2)14(18)8-13(11)17/h4-8,16,19H,1-3H3
InChIKeyBYXXHRMDKUWIIL-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)-(2,5-dimethylphenyl)methanol
CID 81050730
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(2,4-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61086897
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol (CID 81045703) is (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol is COc1ccc(C)cc1C(O)c1cc(C)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is BYXXHRMDKUWIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-9-4-5-15(20-3)12(6-9)16(19)11-7-10(2)14(18)8-13(11)17/h4-8,16,19H,1-3H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 294.75 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 81045703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).