(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

C16H16Br2O2 — CID 107978788

IUPAC(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2cc(Br)cc(Br)c2)ccc(C)c1C
InChIInChI=1S/C16H16Br2O2/c1-9-4-5-14(16(20-3)10(9)2)15(19)11-6-12(17)8-13(18)7-11/h4-8,15,19H,1-3H3
InChIKeyYFKXMRWUUPFNMY-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.92
Rot. Bonds3

About (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol

(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (PubChem CID 107978788) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
PubChem CID107978788
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
SMILESCOc1c(C(O)c2cc(Br)cc(Br)c2)ccc(C)c1C
InChIInChI=1S/C16H16Br2O2/c1-9-4-5-14(16(20-3)10(9)2)15(19)11-6-12(17)8-13(18)7-11/h4-8,15,19H,1-3H3
InChIKeyYFKXMRWUUPFNMY-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433209
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
CID 107978790
(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432669
(2-methoxy-3,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 103432508
(4-cyclopropylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432631
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
[(3-bromophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435826

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol (CID 107978788) is (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is COc1c(C(O)c2cc(Br)cc(Br)c2)ccc(C)c1C.
What is the InChIKey of (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
The InChIKey is YFKXMRWUUPFNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-9-4-5-14(16(20-3)10(9)2)15(19)11-6-12(17)8-13(18)7-11/h4-8,15,19H,1-3H3.
What are the key properties of (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol?
(3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol has a molecular weight of 400.11 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol is sourced from PubChem (CID 107978788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).