1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione

C15H10Cl4O3 — CID 139092302

IUPAC1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
SMILESC=Cc1ccc(OC)cc1.O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C9H10O.C6Cl4O2/c1-3-8-4-6-9(10-2)7-5-8;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-7H,1H2,2H3;
InChIKeyCWRZWMNWMSFRNH-UHFFFAOYSA-N
MW380.05 g/mol
LogP4.85
Rot. Bonds2

About 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione

1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione (PubChem CID 139092302) has the molecular formula C15H10Cl4O3 and a molecular weight of 380.05 g/mol. Its IUPAC name is 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
PubChem CID139092302
Molecular FormulaC15H10Cl4O3
Molecular Weight380.05 g/mol
Exact Mass377.94
IUPAC Name1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
SMILESC=Cc1ccc(OC)cc1.O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C9H10O.C6Cl4O2/c1-3-8-4-6-9(10-2)7-5-8;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-7H,1H2,2H3;
InChIKeyCWRZWMNWMSFRNH-UHFFFAOYSA-N
XLogP4.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.05
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
CID 21495831
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
1-ethenyl-4-methoxybenzene;triazine
CID 174412273
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine
CID 59439786
(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
CID 86126985
2,3,5-trichloro-6-(4-methoxyphenoxy)cyclohexa-2,5-diene-1,4-dione
CID 10404609
1-ethenyl-4-methylperoxybenzene
CID 21053359
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
2,3,5-trichloro-6-(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
CID 12620326
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione (CID 139092302) is 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione is C=Cc1ccc(OC)cc1.O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl.
What is the InChIKey of 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione?
The InChIKey is CWRZWMNWMSFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C6Cl4O2/c1-3-8-4-6-9(10-2)7-5-8;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-7H,1H2,2H3;.
What are the key properties of 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione?
1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione has a molecular weight of 380.05 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methoxybenzene;3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 139092302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).