1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene

C20H18Cl2O2 — CID 173197346

IUPAC1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(OC)ccc2C2=C(Cl)C(Cl)=CCC2)c1
InChIInChI=1S/C20H18Cl2O2/c1-23-14-6-3-5-13(11-14)18-12-15(24-2)9-10-16(18)17-7-4-8-19(21)20(17)22/h3,5-6,8-12H,4,7H2,1-2H3
InChIKeyVQSKSRRECOZLNS-UHFFFAOYSA-N
MW361.27 g/mol
LogP6.24
Rot. Bonds4

About 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene

1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene (PubChem CID 173197346) has the molecular formula C20H18Cl2O2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene
PubChem CID173197346
Molecular FormulaC20H18Cl2O2
Molecular Weight361.27 g/mol
Exact Mass360.07
IUPAC Name1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(OC)ccc2C2=C(Cl)C(Cl)=CCC2)c1
InChIInChI=1S/C20H18Cl2O2/c1-23-14-6-3-5-13(11-14)18-12-15(24-2)9-10-16(18)17-7-4-8-19(21)20(17)22/h3,5-6,8-12H,4,7H2,1-2H3
InChIKeyVQSKSRRECOZLNS-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.27
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
[6-methoxy-2-(3-methoxyphenyl)-3,4-dihydronaphthalen-1-yl] acetate
CID 12972206
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene?
The IUPAC name of 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene (CID 173197346) is 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene.
What is the SMILES notation for 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene?
The canonical SMILES for 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene is COc1cccc(-c2cc(OC)ccc2C2=C(Cl)C(Cl)=CCC2)c1.
What is the InChIKey of 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene?
The InChIKey is VQSKSRRECOZLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2O2/c1-23-14-6-3-5-13(11-14)18-12-15(24-2)9-10-16(18)17-7-4-8-19(21)20(17)22/h3,5-6,8-12H,4,7H2,1-2H3.
What are the key properties of 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene?
1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene has a molecular weight of 361.27 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorocyclohexa-1,3-dien-1-yl)-4-methoxy-2-(3-methoxyphenyl)benzene is sourced from PubChem (CID 173197346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).