[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol

C15H15BrO3 — CID 61391527

IUPAC[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
SMILESCOc1ccc(COc2c(Br)cccc2CO)cc1
InChIInChI=1S/C15H15BrO3/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-17)3-2-4-14(15)16/h2-8,17H,9-10H2,1H3
InChIKeyCNZARQXIRZWLGQ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.53
Rot. Bonds5

About [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol

[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol (PubChem CID 61391527) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
PubChem CID61391527
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
SMILESCOc1ccc(COc2c(Br)cccc2CO)cc1
InChIInChI=1S/C15H15BrO3/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-17)3-2-4-14(15)16/h2-8,17H,9-10H2,1H3
InChIKeyCNZARQXIRZWLGQ-UHFFFAOYSA-N
XLogP3.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol (CID 61391527) is [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol is COc1ccc(COc2c(Br)cccc2CO)cc1.
What is the InChIKey of [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol?
The InChIKey is CNZARQXIRZWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-17)3-2-4-14(15)16/h2-8,17H,9-10H2,1H3.
What are the key properties of [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol?
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol has a molecular weight of 323.19 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 61391527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).