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

C17H19BrO3 — CID 61087207

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cccc(C)c2C)cc1OC
InChIInChI=1S/C17H19BrO3/c1-10-6-5-7-12(11(10)2)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17,19H,1-4H3
InChIKeyWVOIPHKQWVWJCO-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.16
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 61087207) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
PubChem CID61087207
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1cc(Br)c(C(O)c2cccc(C)c2C)cc1OC
InChIInChI=1S/C17H19BrO3/c1-10-6-5-7-12(11(10)2)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17,19H,1-4H3
InChIKeyWVOIPHKQWVWJCO-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

(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61100155
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
1-[bromo-(2,3-dimethylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443435
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
1-bromo-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481122

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol (CID 61087207) is (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol is COc1cc(Br)c(C(O)c2cccc(C)c2C)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is WVOIPHKQWVWJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-10-6-5-7-12(11(10)2)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)-(2,3-dimethylphenyl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(2,3-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)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 61087207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).