1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene

C20H22O2 — CID 122403772

IUPAC1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
SMILESC=C(CCC(=C)c1cccc(OC)c1)c1cccc(OC)c1
InChIInChI=1S/C20H22O2/c1-15(17-7-5-9-19(13-17)21-3)11-12-16(2)18-8-6-10-20(14-18)22-4/h5-10,13-14H,1-2,11-12H2,3-4H3
InChIKeyDVRXLMXLZDAGTJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.21
Rot. Bonds7

About 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene

1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene (PubChem CID 122403772) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
PubChem CID122403772
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
SMILESC=C(CCC(=C)c1cccc(OC)c1)c1cccc(OC)c1
InChIInChI=1S/C20H22O2/c1-15(17-7-5-9-19(13-17)21-3)11-12-16(2)18-8-6-10-20(14-18)22-4/h5-10,13-14H,1-2,11-12H2,3-4H3
InChIKeyDVRXLMXLZDAGTJ-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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hex-1-en-2-yl 3-methoxybenzoate
CID 73010414
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene?
The IUPAC name of 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene (CID 122403772) is 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene.
What is the SMILES notation for 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene?
The canonical SMILES for 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene is C=C(CCC(=C)c1cccc(OC)c1)c1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene?
The InChIKey is DVRXLMXLZDAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-15(17-7-5-9-19(13-17)21-3)11-12-16(2)18-8-6-10-20(14-18)22-4/h5-10,13-14H,1-2,11-12H2,3-4H3.
What are the key properties of 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene?
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene has a molecular weight of 294.39 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene is sourced from PubChem (CID 122403772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).