1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene

C23H18Cl2O — CID 173197399

IUPAC1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene
SMILESCOc1ccc(-c2ccccc2C2=C(Cl)C(Cl)=CCC2)c2ccccc12
InChIInChI=1S/C23H18Cl2O/c1-26-22-14-13-18(16-8-4-5-10-19(16)22)15-7-2-3-9-17(15)20-11-6-12-21(24)23(20)25/h2-5,7-10,12-14H,6,11H2,1H3
InChIKeyPYGLJCPRGOQXIU-UHFFFAOYSA-N
MW381.30 g/mol
LogP7.38
Rot. Bonds3

About 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene

1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene (PubChem CID 173197399) has the molecular formula C23H18Cl2O and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene.

Molecular Properties

Compound Name1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene
PubChem CID173197399
Molecular FormulaC23H18Cl2O
Molecular Weight381.30 g/mol
Exact Mass380.07
IUPAC Name1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene
SMILESCOc1ccc(-c2ccccc2C2=C(Cl)C(Cl)=CCC2)c2ccccc12
InChIInChI=1S/C23H18Cl2O/c1-26-22-14-13-18(16-8-4-5-10-19(16)22)15-7-2-3-9-17(15)20-11-6-12-21(24)23(20)25/h2-5,7-10,12-14H,6,11H2,1H3
InChIKeyPYGLJCPRGOQXIU-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene?
The IUPAC name of 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene (CID 173197399) is 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene.
What is the SMILES notation for 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene?
The canonical SMILES for 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene is COc1ccc(-c2ccccc2C2=C(Cl)C(Cl)=CCC2)c2ccccc12.
What is the InChIKey of 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene?
The InChIKey is PYGLJCPRGOQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2O/c1-26-22-14-13-18(16-8-4-5-10-19(16)22)15-7-2-3-9-17(15)20-11-6-12-21(24)23(20)25/h2-5,7-10,12-14H,6,11H2,1H3.
What are the key properties of 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene?
1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene has a molecular weight of 381.30 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene is sourced from PubChem (CID 173197399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).