(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

C16H16ClFO3 — CID 61080574

IUPAC(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C16H16ClFO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)12-7-10(17)4-5-13(12)18/h4-8,16,19H,1-3H3
InChIKeyJRNNQTMCYGEMRL-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.89
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (PubChem CID 61080574) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
PubChem CID61080574
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C16H16ClFO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)12-7-10(17)4-5-13(12)18/h4-8,16,19H,1-3H3
InChIKeyJRNNQTMCYGEMRL-UHFFFAOYSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081893
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (CID 61080574) is (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is COc1cc(C)c(C(O)c2cc(Cl)ccc2F)cc1OC.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The InChIKey is JRNNQTMCYGEMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)12-7-10(17)4-5-13(12)18/h4-8,16,19H,1-3H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol has a molecular weight of 310.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 61080574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).