1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene

C15H18O2 — CID 167163425

IUPAC1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene
SMILESCCOC1=CCC(c2ccc(OC)cc2)C=C1
InChIInChI=1S/C15H18O2/c1-3-17-15-10-6-13(7-11-15)12-4-8-14(16-2)9-5-12/h4-6,8-11,13H,3,7H2,1-2H3
InChIKeyKXGXUANCLZKJQS-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene

1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene (PubChem CID 167163425) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene
PubChem CID167163425
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene
SMILESCCOC1=CCC(c2ccc(OC)cc2)C=C1
InChIInChI=1S/C15H18O2/c1-3-17-15-10-6-13(7-11-15)12-4-8-14(16-2)9-5-12/h4-6,8-11,13H,3,7H2,1-2H3
InChIKeyKXGXUANCLZKJQS-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene?
The IUPAC name of 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene (CID 167163425) is 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene?
The canonical SMILES for 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene is CCOC1=CCC(c2ccc(OC)cc2)C=C1.
What is the InChIKey of 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene?
The InChIKey is KXGXUANCLZKJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-17-15-10-6-13(7-11-15)12-4-8-14(16-2)9-5-12/h4-6,8-11,13H,3,7H2,1-2H3.
What are the key properties of 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene?
1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene has a molecular weight of 230.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene is sourced from PubChem (CID 167163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).