1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene

C16H17BrO3 — CID 19093036

IUPAC1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene
SMILESCOc1cc(Br)c(COCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17BrO3/c1-18-13-8-15(17)14(16(9-13)19-2)11-20-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyDRZZBOFRIGQEAZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.18
Rot. Bonds6

About 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene

1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene (PubChem CID 19093036) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene
PubChem CID19093036
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene
SMILESCOc1cc(Br)c(COCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17BrO3/c1-18-13-8-15(17)14(16(9-13)19-2)11-20-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyDRZZBOFRIGQEAZ-UHFFFAOYSA-N
XLogP4.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene?
The IUPAC name of 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene (CID 19093036) is 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene?
The canonical SMILES for 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene is COc1cc(Br)c(COCc2ccccc2)c(OC)c1.
What is the InChIKey of 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene?
The InChIKey is DRZZBOFRIGQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-18-13-8-15(17)14(16(9-13)19-2)11-20-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene?
1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene has a molecular weight of 337.21 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dimethoxy-2-(phenylmethoxymethyl)benzene is sourced from PubChem (CID 19093036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).