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

C16H16BrFO3 — CID 107955586

IUPAC(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(F)c(Br)c2)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)10-4-5-13(18)12(17)7-10/h4-8,16,19H,1-3H3
InChIKeyYUQBOEUKDIXRPN-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.00
Rot. Bonds4

About (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol

(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (PubChem CID 107955586) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
PubChem CID107955586
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2ccc(F)c(Br)c2)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)10-4-5-13(18)12(17)7-10/h4-8,16,19H,1-3H3
InChIKeyYUQBOEUKDIXRPN-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

(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
CID 61080761
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol (CID 107955586) is (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is COc1cc(C)c(C(O)c2ccc(F)c(Br)c2)cc1OC.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
The InChIKey is YUQBOEUKDIXRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-9-6-14(20-2)15(21-3)8-11(9)16(19)10-4-5-13(18)12(17)7-10/h4-8,16,19H,1-3H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol?
(3-bromo-4-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 (3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 107955586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).