1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene

C15H20O — CID 18338636

IUPAC1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene
SMILESCCOc1ccc(C2CC=C(C)CC2)cc1
InChIInChI=1S/C15H20O/c1-3-16-15-10-8-14(9-11-15)13-6-4-12(2)5-7-13/h4,8-11,13H,3,5-7H2,1-2H3
InChIKeyKZSDOWAHENWIFL-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.30
Rot. Bonds3

About 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene

1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene (PubChem CID 18338636) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene
PubChem CID18338636
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene
SMILESCCOc1ccc(C2CC=C(C)CC2)cc1
InChIInChI=1S/C15H20O/c1-3-16-15-10-8-14(9-11-15)13-6-4-12(2)5-7-13/h4,8-11,13H,3,5-7H2,1-2H3
InChIKeyKZSDOWAHENWIFL-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene?
The IUPAC name of 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene (CID 18338636) is 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene.
What is the SMILES notation for 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene?
The canonical SMILES for 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene is CCOc1ccc(C2CC=C(C)CC2)cc1.
What is the InChIKey of 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene?
The InChIKey is KZSDOWAHENWIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-16-15-10-8-14(9-11-15)13-6-4-12(2)5-7-13/h4,8-11,13H,3,5-7H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene?
1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene has a molecular weight of 216.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene is sourced from PubChem (CID 18338636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).