1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene

C19H17ClO — CID 173197359

IUPAC1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(Cl)cc3)C=CCC2)cc1
InChIInChI=1S/C19H17ClO/c1-21-17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2,4,6-13H,3,5H2,1H3
InChIKeyOUBZQGGTIXTDPS-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.61
Rot. Bonds3

About 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene

1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene (PubChem CID 173197359) has the molecular formula C19H17ClO and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
PubChem CID173197359
Molecular FormulaC19H17ClO
Molecular Weight296.80 g/mol
Exact Mass296.10
IUPAC Name1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCOc1ccc(C2=C(c3ccc(Cl)cc3)C=CCC2)cc1
InChIInChI=1S/C19H17ClO/c1-21-17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2,4,6-13H,3,5H2,1H3
InChIKeyOUBZQGGTIXTDPS-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.61
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-methoxy-4-[2-(4-methoxyphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 15519665
1-[2-(4-chlorophenyl)cyclohexa-1,3-dien-1-yl]-4-methoxynaphthalene
CID 173189754
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene
CID 173189822
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
anisole;1,4-dichlorobenzene
CID 175517246
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
3-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2-benzofuran
CID 15352540
(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 143927079
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
The IUPAC name of 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene (CID 173197359) is 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene is COc1ccc(C2=C(c3ccc(Cl)cc3)C=CCC2)cc1.
What is the InChIKey of 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
The InChIKey is OUBZQGGTIXTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO/c1-21-17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2,4,6-13H,3,5H2,1H3.
What are the key properties of 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene has a molecular weight of 296.80 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene is sourced from PubChem (CID 173197359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).