4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene

C17H20O — CID 174345319

IUPAC4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCCCCc1ccc(O)cc1.Cc1cc2cc-2c1
InChIInChI=1S/C10H14O.C7H6/c1-2-3-4-9-5-7-10(11)8-6-9;1-5-2-6-4-7(6)3-5/h5-8,11H,2-4H2,1H3;2-4H,1H3
InChIKeyDAAKZOYABFSKOR-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.71
Rot. Bonds3

About 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene

4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene (PubChem CID 174345319) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene.

Molecular Properties

Compound Name4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
PubChem CID174345319
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
SMILESCCCCc1ccc(O)cc1.Cc1cc2cc-2c1
InChIInChI=1S/C10H14O.C7H6/c1-2-3-4-9-5-7-10(11)8-6-9;1-5-2-6-4-7(6)3-5/h5-8,11H,2-4H2,1H3;2-4H,1H3
InChIKeyDAAKZOYABFSKOR-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-heptylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174342857
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
4-butylphenol;tungsten
CID 174758928
lithium;4-butylphenol;hydride
CID 174758234
4-butylphenol;3,5-dibutylphenol
CID 159891553
4-(3,5-dibutylphenyl)phenol
CID 175464122
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
1-butyl-4-methylbenzene;phenol
CID 174834955
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867

Frequently Asked Questions

What is the IUPAC name of 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene?
The IUPAC name of 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene (CID 174345319) is 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene.
What is the SMILES notation for 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene?
The canonical SMILES for 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene is CCCCc1ccc(O)cc1.Cc1cc2cc-2c1.
What is the InChIKey of 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene?
The InChIKey is DAAKZOYABFSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C7H6/c1-2-3-4-9-5-7-10(11)8-6-9;1-5-2-6-4-7(6)3-5/h5-8,11H,2-4H2,1H3;2-4H,1H3.
What are the key properties of 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene?
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene has a molecular weight of 240.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene is sourced from PubChem (CID 174345319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).