1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene

C23H19ClO — CID 173189754

IUPAC1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene
SMILESCOc1ccc(C2=C(c3ccc(Cl)cc3)C=CCC2)c2ccccc12
InChIInChI=1S/C23H19ClO/c1-25-23-15-14-21(20-8-4-5-9-22(20)23)19-7-3-2-6-18(19)16-10-12-17(24)13-11-16/h2,4-6,8-15H,3,7H2,1H3
InChIKeyAFRAQTWFDCOEDR-UHFFFAOYSA-N
MW346.86 g/mol
LogP6.76
Rot. Bonds3

About 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene

1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene (PubChem CID 173189754) has the molecular formula C23H19ClO and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene
PubChem CID173189754
Molecular FormulaC23H19ClO
Molecular Weight346.86 g/mol
Exact Mass346.11
IUPAC Name1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene
SMILESCOc1ccc(C2=C(c3ccc(Cl)cc3)C=CCC2)c2ccccc12
InChIInChI=1S/C23H19ClO/c1-25-23-15-14-21(20-8-4-5-9-22(20)23)19-7-3-2-6-18(19)16-10-12-17(24)13-11-16/h2,4-6,8-15H,3,7H2,1H3
InChIKeyAFRAQTWFDCOEDR-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 173197359
1-[2-(2,3-dichlorocyclohexa-1,3-dien-1-yl)phenyl]-4-methoxynaphthalene
CID 173197399
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
1-chloro-4-methoxynaphthalene
CID 606038
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
CID 174823810
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
1-methoxy-4-[2-(3-methoxycyclohexa-1,3-dien-1-yl)phenyl]naphthalene
CID 173197365
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene?
The IUPAC name of 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene (CID 173189754) is 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene.
What is the SMILES notation for 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene?
The canonical SMILES for 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene is COc1ccc(C2=C(c3ccc(Cl)cc3)C=CCC2)c2ccccc12.
What is the InChIKey of 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene?
The InChIKey is AFRAQTWFDCOEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO/c1-25-23-15-14-21(20-8-4-5-9-22(20)23)19-7-3-2-6-18(19)16-10-12-17(24)13-11-16/h2,4-6,8-15H,3,7H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene?
1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene has a molecular weight of 346.86 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene is sourced from PubChem (CID 173189754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).