(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol

C17H19BrO3 — CID 61088323

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C17H19BrO3/c1-10-5-11(2)7-12(6-10)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17,19H,1-4H3
InChIKeyMLOMQGWDAMYKTL-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.16
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol

(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol (PubChem CID 61088323) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
PubChem CID61088323
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C17H19BrO3/c1-10-5-11(2)7-12(6-10)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17,19H,1-4H3
InChIKeyMLOMQGWDAMYKTL-UHFFFAOYSA-N
XLogP4.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
CID 61088517
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790985
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(2,4-dibromophenyl)-(3,5-dimethylphenyl)methanol
CID 107947280
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(3-chloro-5-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 81316466
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 55134769

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol (CID 61088323) is (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol is COc1cc(Br)c(C(O)c2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol?
The InChIKey is MLOMQGWDAMYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-10-5-11(2)7-12(6-10)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17,19H,1-4H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol is sourced from PubChem (CID 61088323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).