1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene

C14H16O — CID 145107392

IUPAC1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
SMILESCCOc1ccc(C2=CC=CCC2)cc1
InChIInChI=1S/C14H16O/c1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-4,6,8-11H,2,5,7H2,1H3
InChIKeyHMHNGEVOZKYWQL-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.82
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene

1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene (PubChem CID 145107392) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
PubChem CID145107392
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
SMILESCCOc1ccc(C2=CC=CCC2)cc1
InChIInChI=1S/C14H16O/c1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-4,6,8-11H,2,5,7H2,1H3
InChIKeyHMHNGEVOZKYWQL-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
3-(4-ethoxyphenyl)cyclopent-2-en-1-one
CID 39240486
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
ethyl 6-cyclohexa-1,3-dien-1-yl-1,4-benzodioxine-3-carboxylate
CID 70589188
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
1,3-bis(4-ethoxyphenyl)thiourea;1-(cyclopenta-1,3-dien-1-ylmethyl)cyclopenta-1,3-diene;hafnium
CID 87980893
3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 14914996
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-cyclopenta-1,3-dien-1-yl-4-ethynylbenzene
CID 101449090
bis(4-ethoxyphenyl)phosphinous acid
CID 138526772

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene (CID 145107392) is 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene is CCOc1ccc(C2=CC=CCC2)cc1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene?
The InChIKey is HMHNGEVOZKYWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-4,6,8-11H,2,5,7H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene?
1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene has a molecular weight of 200.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene is sourced from PubChem (CID 145107392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).