bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol

C16H18O — CID 174398804

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
SMILESCCCCc1ccc(O)cc1.c1cc2cc-2c1
InChIInChI=1S/C10H14O.C6H4/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-5-4-6(5)3-1/h5-8,11H,2-4H2,1H3;1-4H
InChIKeyJOPGFBKPQIOTIT-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.40
Rot. Bonds3

About bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol

bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol (PubChem CID 174398804) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
PubChem CID174398804
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
SMILESCCCCc1ccc(O)cc1.c1cc2cc-2c1
InChIInChI=1S/C10H14O.C6H4/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-5-4-6(5)3-1/h5-8,11H,2-4H2,1H3;1-4H
InChIKeyJOPGFBKPQIOTIT-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol 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

4-butylphenol;tungsten
CID 174758928
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
lithium;4-butylphenol;hydride
CID 174758234
4-butylphenol;3,5-dibutylphenol
CID 159891553
benzene-1,3-diol;4-nonylphenol
CID 159380657
benzene-1,3-diol;4-dodecylphenol
CID 159325714
4-butylphenol;phenol;4-propylphenol
CID 157420199
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
4-heptylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174342857
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol (CID 174398804) is bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol is CCCCc1ccc(O)cc1.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol?
The InChIKey is JOPGFBKPQIOTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C6H4/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-5-4-6(5)3-1/h5-8,11H,2-4H2,1H3;1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol?
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol has a molecular weight of 226.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol is sourced from PubChem (CID 174398804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).