1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene

C15H16O — CID 142234255

IUPAC1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene
SMILESCCOc1cccc(C2=CC=CC=CC2)c1
InChIInChI=1S/C15H16O/c1-2-16-15-11-7-10-14(12-15)13-8-5-3-4-6-9-13/h3-8,10-12H,2,9H2,1H3
InChIKeyAWMPGVAZUKCRPH-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.98
Rot. Bonds3

About 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene

1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene (PubChem CID 142234255) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene
PubChem CID142234255
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene
SMILESCCOc1cccc(C2=CC=CC=CC2)c1
InChIInChI=1S/C15H16O/c1-2-16-15-11-7-10-14(12-15)13-8-5-3-4-6-9-13/h3-8,10-12H,2,9H2,1H3
InChIKeyAWMPGVAZUKCRPH-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-3-(3-methoxycyclohexa-1,3-dien-1-yl)benzene
CID 173189813
CID 88533014
CID 88533014
2-(3-ethoxyphenyl)aniline
CID 57482711
4-(3-ethoxyphenyl)-N,N-diethylaniline
CID 11231008
2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540746
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169409151
3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879399
3-bromo-5-(3-ethoxyphenyl)aniline
CID 170984455
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene (CID 142234255) is 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene is CCOc1cccc(C2=CC=CC=CC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene?
The InChIKey is AWMPGVAZUKCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-2-16-15-11-7-10-14(12-15)13-8-5-3-4-6-9-13/h3-8,10-12H,2,9H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene?
1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene has a molecular weight of 212.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 142234255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).