(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol

C17H19BrO2 — CID 83067897

IUPAC(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)c2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C17H19BrO2/c1-10-5-6-13(9-15(10)18)16(19)14-7-11(2)17(20-4)12(3)8-14/h5-9,16,19H,1-4H3
InChIKeyKXZNTQOBKUARTG-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.46
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol

(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol (PubChem CID 83067897) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
PubChem CID83067897
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)c2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C17H19BrO2/c1-10-5-6-13(9-15(10)18)16(19)14-7-11(2)17(20-4)12(3)8-14/h5-9,16,19H,1-4H3
InChIKeyKXZNTQOBKUARTG-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679797
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-3,6-dimethylphenyl)methanol
CID 107955751
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol (CID 83067897) is (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol is COc1c(C)cc(C(O)c2ccc(C)c(Br)c2)cc1C.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The InChIKey is KXZNTQOBKUARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-10-5-6-13(9-15(10)18)16(19)14-7-11(2)17(20-4)12(3)8-14/h5-9,16,19H,1-4H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol has a molecular weight of 335.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 83067897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).