1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene

C15H18O — CID 163557331

IUPAC1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCOc1ccc(C2=CC=CCC2C)cc1
InChIInChI=1S/C15H18O/c1-3-16-14-10-8-13(9-11-14)15-7-5-4-6-12(15)2/h4-5,7-12H,3,6H2,1-2H3
InChIKeyFOFHZCIPQJEEKK-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.06
Rot. Bonds3

About 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene

1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 163557331) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID163557331
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCOc1ccc(C2=CC=CCC2C)cc1
InChIInChI=1S/C15H18O/c1-3-16-14-10-8-13(9-11-14)15-7-5-4-6-12(15)2/h4-5,7-12H,3,6H2,1-2H3
InChIKeyFOFHZCIPQJEEKK-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene (CID 163557331) is 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene is CCOc1ccc(C2=CC=CCC2C)cc1.
What is the InChIKey of 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is FOFHZCIPQJEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-16-14-10-8-13(9-11-14)15-7-5-4-6-12(15)2/h4-5,7-12H,3,6H2,1-2H3.
What are the key properties of 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene?
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 214.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 163557331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).