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

C16H16BrFO3 — CID 61082293

IUPAC(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C16H16BrFO3/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
InChIKeyXZKJLOKKDLPBSZ-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.00
Rot. Bonds4

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

(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (PubChem CID 61082293) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
PubChem CID61082293
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C16H16BrFO3/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
InChIKeyXZKJLOKKDLPBSZ-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081131
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(5-bromo-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 65307087
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081893
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (CID 61082293) is (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is COc1cc(C)c(C(O)c2cc(Br)ccc2F)cc1OC.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The InChIKey is XZKJLOKKDLPBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/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-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol has a molecular weight of 355.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 61082293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).