1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene

C23H21ClO3 — CID 11289

💊View drug profile → chlorotrianisene
IUPAC1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
InChIKeyBFPSDSIWYFKGBC-UHFFFAOYSA-N
MW380.87 g/mol
LogP5.87
Rot. Bonds6

About 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene

1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene (PubChem CID 11289) has the molecular formula C23H21ClO3 and a molecular weight of 380.87 g/mol. Its IUPAC name is 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
PubChem CID11289
Molecular FormulaC23H21ClO3
Molecular Weight380.87 g/mol
Exact Mass380.12
IUPAC Name1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
InChIKeyBFPSDSIWYFKGBC-UHFFFAOYSA-N
XLogP5.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.87
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methoxychlor
CID 4115
Clomiphene
CID 2800
Etofenprox
CID 71245
Ospemifene
CID 3036505
Enclomiphene
CID 1548953
Zuclomiphene
CID 1548955
4-Propylanisole
CID 7702
4-Methoxybiphenyl
CID 11943
Monodemethylmethoxychlor
CID 183679
4-Methoxydiphenylmethane
CID 13264
4-Methoxy-alpha,alpha-diphenylbenzenemethanol
CID 70061
Methoxychlor olefin
CID 75048

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene (CID 11289) is 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene is COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The InChIKey is BFPSDSIWYFKGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3.
What are the key properties of 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene has a molecular weight of 380.87 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 11289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).