4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene

C26H26Cl2O4 — CID 20539883

IUPAC4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene
SMILESC=CCOc1ccc(C(=C(Cl)Cl)c2ccc(OCC=C)c(OCC=C)c2)cc1OCC=C
InChIInChI=1S/C26H26Cl2O4/c1-5-13-29-21-11-9-19(17-23(21)31-15-7-3)25(26(27)28)20-10-12-22(30-14-6-2)24(18-20)32-16-8-4/h5-12,17-18H,1-4,13-16H2
InChIKeyUWQNWMZGKJZZMT-UHFFFAOYSA-N
MW473.40 g/mol
LogP7.14
Rot. Bonds14

About 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene

4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene (PubChem CID 20539883) has the molecular formula C26H26Cl2O4 and a molecular weight of 473.40 g/mol. Its IUPAC name is 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene.

Molecular Properties

Compound Name4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene
PubChem CID20539883
Molecular FormulaC26H26Cl2O4
Molecular Weight473.40 g/mol
Exact Mass472.12
IUPAC Name4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene
SMILESC=CCOc1ccc(C(=C(Cl)Cl)c2ccc(OCC=C)c(OCC=C)c2)cc1OCC=C
InChIInChI=1S/C26H26Cl2O4/c1-5-13-29-21-11-9-19(17-23(21)31-15-7-3)25(26(27)28)20-10-12-22(30-14-6-2)24(18-20)32-16-8-4/h5-12,17-18H,1-4,13-16H2
InChIKeyUWQNWMZGKJZZMT-UHFFFAOYSA-N
XLogP7.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
4-methyl-3-prop-2-enoxybenzoic acid
CID 23510414
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
3-[3,4-bis(prop-2-enoxy)phenyl]-2-hydroxypropanoic acid
CID 10956821
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene?
The IUPAC name of 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene (CID 20539883) is 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene.
What is the SMILES notation for 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene?
The canonical SMILES for 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene is C=CCOc1ccc(C(=C(Cl)Cl)c2ccc(OCC=C)c(OCC=C)c2)cc1OCC=C.
What is the InChIKey of 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene?
The InChIKey is UWQNWMZGKJZZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2O4/c1-5-13-29-21-11-9-19(17-23(21)31-15-7-3)25(26(27)28)20-10-12-22(30-14-6-2)24(18-20)32-16-8-4/h5-12,17-18H,1-4,13-16H2.
What are the key properties of 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene?
4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene has a molecular weight of 473.40 g/mol, XLogP of 7.14, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,4-bis(prop-2-enoxy)phenyl]-2,2-dichloroethenyl]-1,2-bis(prop-2-enoxy)benzene is sourced from PubChem (CID 20539883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).