(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol

C16H17BrO2 — CID 115791553

IUPAC(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc(C)c1C
InChIInChI=1S/C16H17BrO2/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16,18H,1-3H3
InChIKeyJSQSHZWIRKZLKX-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.16
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol

(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 115791553) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
PubChem CID115791553
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc(C)c1C
InChIInChI=1S/C16H17BrO2/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16,18H,1-3H3
InChIKeyJSQSHZWIRKZLKX-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 115369724

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol (CID 115791553) is (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol is COc1cc(Br)ccc1C(O)c1cccc(C)c1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is JSQSHZWIRKZLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-10-5-4-6-13(11(10)2)16(18)14-8-7-12(17)9-15(14)19-3/h4-9,16,18H,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol has a molecular weight of 321.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 115791553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).