1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene

C14H14Cl2O — CID 175695812

IUPAC1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene
SMILESCOC1=CC(c2cc(Cl)cc(Cl)c2)CC(C)=C1
InChIInChI=1S/C14H14Cl2O/c1-9-3-10(7-14(4-9)17-2)11-5-12(15)8-13(16)6-11/h4-8,10H,3H2,1-2H3
InChIKeyWOFYSPCDJUENHZ-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.96
Rot. Bonds2

About 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene

1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene (PubChem CID 175695812) has the molecular formula C14H14Cl2O and a molecular weight of 269.17 g/mol. Its IUPAC name is 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene
PubChem CID175695812
Molecular FormulaC14H14Cl2O
Molecular Weight269.17 g/mol
Exact Mass268.04
IUPAC Name1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene
SMILESCOC1=CC(c2cc(Cl)cc(Cl)c2)CC(C)=C1
InChIInChI=1S/C14H14Cl2O/c1-9-3-10(7-14(4-9)17-2)11-5-12(15)8-13(16)6-11/h4-8,10H,3H2,1-2H3
InChIKeyWOFYSPCDJUENHZ-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene (CID 175695812) is 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene is COC1=CC(c2cc(Cl)cc(Cl)c2)CC(C)=C1.
What is the InChIKey of 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is WOFYSPCDJUENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O/c1-9-3-10(7-14(4-9)17-2)11-5-12(15)8-13(16)6-11/h4-8,10H,3H2,1-2H3.
What are the key properties of 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene?
1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 269.17 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3-methoxy-5-methylcyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 175695812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).