ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene

C17H24O — CID 143624707

IUPACethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
SMILESC1=CC2CC2C=C1Oc1ccccc1.CC.CC
InChIInChI=1S/C13H12O.2C2H6/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;2*1-2/h1-7,9-11H,8H2;2*1-2H3
InChIKeyFANLLAYCHPYSJJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.21
Rot. Bonds2

About ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene

ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143624707) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Nameethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
PubChem CID143624707
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Nameethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene
SMILESC1=CC2CC2C=C1Oc1ccccc1.CC.CC
InChIInChI=1S/C13H12O.2C2H6/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;2*1-2/h1-7,9-11H,8H2;2*1-2H3
InChIKeyFANLLAYCHPYSJJ-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene 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

3-cyclohexa-1,5-dien-1-yloxybicyclo[4.1.0]hepta-2,4-diene;ethane
CID 142351499
anisole;methyl (E)-3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enoate
CID 145193070
N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
CID 144622736
[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene
CID 163764485
[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene
CID 130196435
3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
CID 143087157
ethane;phenoxybenzene;propane
CID 90923491
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-3-(4-methylphenoxy)benzene
CID 163884180
cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene (CID 143624707) is ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene is C1=CC2CC2C=C1Oc1ccccc1.CC.CC.
What is the InChIKey of ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is FANLLAYCHPYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.2C2H6/c1-2-4-12(5-3-1)14-13-7-6-10-8-11(10)9-13;2*1-2/h1-7,9-11H,8H2;2*1-2H3.
What are the key properties of ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene?
ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 244.38 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenoxybicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143624707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).