1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene

C19H15Cl2FO — CID 173189822

IUPAC1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene
SMILESCOc1ccc(C2=C(Cl)CCC(c3ccc(Cl)cc3)=C2F)cc1
InChIInChI=1S/C19H15Cl2FO/c1-23-15-8-4-13(5-9-15)18-17(21)11-10-16(19(18)22)12-2-6-14(20)7-3-12/h2-9H,10-11H2,1H3
InChIKeyGGUBLTFIJZYWDR-UHFFFAOYSA-N
MW349.23 g/mol
LogP6.47
Rot. Bonds3

About 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene

1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene (PubChem CID 173189822) has the molecular formula C19H15Cl2FO and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene
PubChem CID173189822
Molecular FormulaC19H15Cl2FO
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene
SMILESCOc1ccc(C2=C(Cl)CCC(c3ccc(Cl)cc3)=C2F)cc1
InChIInChI=1S/C19H15Cl2FO/c1-23-15-8-4-13(5-9-15)18-17(21)11-10-16(19(18)22)12-2-6-14(20)7-3-12/h2-9H,10-11H2,1H3
InChIKeyGGUBLTFIJZYWDR-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-chloro-4-[2-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 173197359
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
(4-chlorophenyl)-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 143927079
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
anisole;1,4-dichlorobenzene
CID 175517246
3-fluoro-2-(4-methoxyphenyl)-1H-indene
CID 102296700

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene (CID 173189822) is 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene is COc1ccc(C2=C(Cl)CCC(c3ccc(Cl)cc3)=C2F)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene?
The InChIKey is GGUBLTFIJZYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FO/c1-23-15-8-4-13(5-9-15)18-17(21)11-10-16(19(18)22)12-2-6-14(20)7-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene?
1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene has a molecular weight of 349.23 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)-3-fluoro-2-(4-methoxyphenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173189822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).