1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene

C23H28O2 — CID 134379210

IUPAC1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene
SMILESC/C=C\C=C/C(C)C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H28O2/c1-6-7-8-9-18(2)23(3,19-10-14-21(24-4)15-11-19)20-12-16-22(25-5)17-13-20/h6-18H,1-5H3/b7-6-,9-8-
InChIKeySJHHCSMADGZKPQ-JPDBVBESSA-N
MW336.48 g/mol
LogP5.78
Rot. Bonds7

About 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene

1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene (PubChem CID 134379210) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene
PubChem CID134379210
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene
SMILESC/C=C\C=C/C(C)C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H28O2/c1-6-7-8-9-18(2)23(3,19-10-14-21(24-4)15-11-19)20-12-16-22(25-5)17-13-20/h6-18H,1-5H3/b7-6-,9-8-
InChIKeySJHHCSMADGZKPQ-JPDBVBESSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene (CID 134379210) is 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene is C/C=C\C=C/C(C)C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene?
The InChIKey is SJHHCSMADGZKPQ-JPDBVBESSA-N. The full InChI is InChI=1S/C23H28O2/c1-6-7-8-9-18(2)23(3,19-10-14-21(24-4)15-11-19)20-12-16-22(25-5)17-13-20/h6-18H,1-5H3/b7-6-,9-8-.
What are the key properties of 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene?
1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene has a molecular weight of 336.48 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene is sourced from PubChem (CID 134379210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).