1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene

C18H16Cl2O2 — CID 44604980

IUPAC1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
SMILESCOc1ccc(/C(Cl)=C/C=C(\Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16Cl2O2/c1-21-15-7-3-13(4-8-15)17(19)11-12-18(20)14-5-9-16(22-2)10-6-14/h3-12H,1-2H3/b17-11-,18-12-
InChIKeyDVHRVNARVMPCBC-WHYMJUELSA-N
MW335.23 g/mol
LogP5.56
Rot. Bonds5

About 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene

1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene (PubChem CID 44604980) has the molecular formula C18H16Cl2O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
PubChem CID44604980
Molecular FormulaC18H16Cl2O2
Molecular Weight335.23 g/mol
Exact Mass334.05
IUPAC Name1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
SMILESCOc1ccc(/C(Cl)=C/C=C(\Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16Cl2O2/c1-21-15-7-3-13(4-8-15)17(19)11-12-18(20)14-5-9-16(22-2)10-6-14/h3-12H,1-2H3/b17-11-,18-12-
InChIKeyDVHRVNARVMPCBC-WHYMJUELSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene with MolForge

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Related Compounds

[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-(4-methoxyphenyl)azanium perchlorate
CID 43833571
CID 12714057
CID 12714057
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
CID 58223742
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
(Z)-3-(4-methoxyphenyl)-3-sulfanylprop-2-enal
CID 14530924
N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 142605464
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
CID 155208974

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
The IUPAC name of 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene (CID 44604980) is 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
The canonical SMILES for 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene is COc1ccc(/C(Cl)=C/C=C(\Cl)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
The InChIKey is DVHRVNARVMPCBC-WHYMJUELSA-N. The full InChI is InChI=1S/C18H16Cl2O2/c1-21-15-7-3-13(4-8-15)17(19)11-12-18(20)14-5-9-16(22-2)10-6-14/h3-12H,1-2H3/b17-11-,18-12-.
What are the key properties of 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene?
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene has a molecular weight of 335.23 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene is sourced from PubChem (CID 44604980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).