[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol

C17H19BrO3 — CID 65322781

IUPAC[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCOc1ccc(Br)c(COc2c(C)cc(CO)cc2C)c1
InChIInChI=1S/C17H19BrO3/c1-11-6-13(9-19)7-12(2)17(11)21-10-14-8-15(20-3)4-5-16(14)18/h4-8,19H,9-10H2,1-3H3
InChIKeyIGMXBRRIAZKMTI-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.15
Rot. Bonds5

About [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol

[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol (PubChem CID 65322781) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
PubChem CID65322781
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
SMILESCOc1ccc(Br)c(COc2c(C)cc(CO)cc2C)c1
InChIInChI=1S/C17H19BrO3/c1-11-6-13(9-19)7-12(2)17(11)21-10-14-8-15(20-3)4-5-16(14)18/h4-8,19H,9-10H2,1-3H3
InChIKeyIGMXBRRIAZKMTI-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol with MolForge

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Related Compounds

1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
[2-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dichlorophenyl]methanol
CID 65322928
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
CID 134830670
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
CID 65326137
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
[4-[(2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933284

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol (CID 65322781) is [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol is COc1ccc(Br)c(COc2c(C)cc(CO)cc2C)c1.
What is the InChIKey of [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol?
The InChIKey is IGMXBRRIAZKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-6-13(9-19)7-12(2)17(11)21-10-14-8-15(20-3)4-5-16(14)18/h4-8,19H,9-10H2,1-3H3.
What are the key properties of [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol?
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol has a molecular weight of 351.24 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 65322781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).