1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one

C21H22O3 — CID 140987321

IUPAC1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
SMILESCOc1ccccc1C=CCC(=O)CC=Cc1ccccc1OC
InChIInChI=1S/C21H22O3/c1-23-20-15-5-3-9-17(20)11-7-13-19(22)14-8-12-18-10-4-6-16-21(18)24-2/h3-12,15-16H,13-14H2,1-2H3
InChIKeyGLBVVZORLAFMMV-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.78
Rot. Bonds8

About 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one

1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one (PubChem CID 140987321) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one.

Molecular Properties

Compound Name1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
PubChem CID140987321
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
SMILESCOc1ccccc1C=CCC(=O)CC=Cc1ccccc1OC
InChIInChI=1S/C21H22O3/c1-23-20-15-5-3-9-17(20)11-7-13-19(22)14-8-12-18-10-4-6-16-21(18)24-2/h3-12,15-16H,13-14H2,1-2H3
InChIKeyGLBVVZORLAFMMV-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one?
The IUPAC name of 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one (CID 140987321) is 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one.
What is the SMILES notation for 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one?
The canonical SMILES for 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one is COc1ccccc1C=CCC(=O)CC=Cc1ccccc1OC.
What is the InChIKey of 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one?
The InChIKey is GLBVVZORLAFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-23-20-15-5-3-9-17(20)11-7-13-19(22)14-8-12-18-10-4-6-16-21(18)24-2/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one?
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one has a molecular weight of 322.40 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one is sourced from PubChem (CID 140987321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).