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

C16H15BrO2 — CID 66842910

IUPAC2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C16H15BrO2/c1-11(12-7-5-4-6-8-12)13-9-14(18-2)16(17)15(10-13)19-3/h4-10H,1H2,2-3H3
InChIKeyBLWZOBCWAJTPCN-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.53
Rot. Bonds4

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

2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene (PubChem CID 66842910) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene
PubChem CID66842910
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C16H15BrO2/c1-11(12-7-5-4-6-8-12)13-9-14(18-2)16(17)15(10-13)19-3/h4-10H,1H2,2-3H3
InChIKeyBLWZOBCWAJTPCN-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene?
The IUPAC name of 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene (CID 66842910) is 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene.
What is the SMILES notation for 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene?
The canonical SMILES for 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene?
The InChIKey is BLWZOBCWAJTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11(12-7-5-4-6-8-12)13-9-14(18-2)16(17)15(10-13)19-3/h4-10H,1H2,2-3H3.
What are the key properties of 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene?
2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene has a molecular weight of 319.20 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethoxy-5-(1-phenylethenyl)benzene is sourced from PubChem (CID 66842910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).