4-[(E)-hept-1-enyl]benzene-1,2-diol

C13H18O2 — CID 19968505

IUPAC4-[(E)-hept-1-enyl]benzene-1,2-diol
SMILESCCCCC/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C13H18O2/c1-2-3-4-5-6-7-11-8-9-12(14)13(15)10-11/h6-10,14-15H,2-5H2,1H3/b7-6+
InChIKeyDIEVSSLZSZWGPG-VOTSOKGWSA-N
MW206.29 g/mol
LogP3.69
Rot. Bonds5

About 4-[(E)-hept-1-enyl]benzene-1,2-diol

4-[(E)-hept-1-enyl]benzene-1,2-diol (PubChem CID 19968505) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(E)-hept-1-enyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-hept-1-enyl]benzene-1,2-diol
PubChem CID19968505
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-[(E)-hept-1-enyl]benzene-1,2-diol
SMILESCCCCC/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C13H18O2/c1-2-3-4-5-6-7-11-8-9-12(14)13(15)10-11/h6-10,14-15H,2-5H2,1H3/b7-6+
InChIKeyDIEVSSLZSZWGPG-VOTSOKGWSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[(E)-hept-1-enyl]benzene-1,2-diol 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

2-amino-4-hex-1-enylphenol
CID 151495931
4-(19-aminononadec-1-enyl)benzene-1,2-diol
CID 67683385
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
3-[(E)-hex-1-enyl]phenol
CID 121007177
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
4-[(E)-3-octadecyliminobut-1-enyl]benzene-1,2-diol
CID 137028732
5-dec-1-enyl-2,3-dihydroxybenzaldehyde
CID 175410539

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hept-1-enyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-hept-1-enyl]benzene-1,2-diol (CID 19968505) is 4-[(E)-hept-1-enyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-hept-1-enyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-hept-1-enyl]benzene-1,2-diol is CCCCC/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(E)-hept-1-enyl]benzene-1,2-diol?
The InChIKey is DIEVSSLZSZWGPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-4-5-6-7-11-8-9-12(14)13(15)10-11/h6-10,14-15H,2-5H2,1H3/b7-6+.
What are the key properties of 4-[(E)-hept-1-enyl]benzene-1,2-diol?
4-[(E)-hept-1-enyl]benzene-1,2-diol has a molecular weight of 206.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hept-1-enyl]benzene-1,2-diol is sourced from PubChem (CID 19968505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).