1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene

C19H22O4 — CID 69202629

IUPAC1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
SMILESCC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22O4/c1-6-17(13-7-8-18(22-4)19(11-13)23-5)14-9-15(20-2)12-16(10-14)21-3/h6-12H,1-5H3
InChIKeyNKEKHUQLJHIYAW-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.17
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene

1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene (PubChem CID 69202629) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
PubChem CID69202629
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
SMILESCC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22O4/c1-6-17(13-7-8-18(22-4)19(11-13)23-5)14-9-15(20-2)12-16(10-14)21-3/h6-12H,1-5H3
InChIKeyNKEKHUQLJHIYAW-UHFFFAOYSA-N
XLogP4.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene (CID 69202629) is 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene is CC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene?
The InChIKey is NKEKHUQLJHIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-6-17(13-7-8-18(22-4)19(11-13)23-5)14-9-15(20-2)12-16(10-14)21-3/h6-12H,1-5H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene?
1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene has a molecular weight of 314.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 69202629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).