(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol

C16H16BrClO2 — CID 61100155

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1cccc(C)c1C
InChIInChI=1S/C16H16BrClO2/c1-9-5-4-6-12(10(9)2)15(19)13-7-11(18)8-14(17)16(13)20-3/h4-8,15,19H,1-3H3
InChIKeyKGBXVQIOJHKLIF-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.81
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol

(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 61100155) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
PubChem CID61100155
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)c1cccc(C)c1C
InChIInChI=1S/C16H16BrClO2/c1-9-5-4-6-12(10(9)2)15(19)13-7-11(18)8-14(17)16(13)20-3/h4-8,15,19H,1-3H3
InChIKeyKGBXVQIOJHKLIF-UHFFFAOYSA-N
XLogP4.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63428538
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
1-bromo-3-[bromo-(4-bromo-2-methylphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435954
(3-bromo-5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methanamine
CID 43106958
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol (CID 61100155) is (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol is COc1c(Br)cc(Cl)cc1C(O)c1cccc(C)c1C.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is KGBXVQIOJHKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-9-5-4-6-12(10(9)2)15(19)13-7-11(18)8-14(17)16(13)20-3/h4-8,15,19H,1-3H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol has a molecular weight of 355.66 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 61100155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).