4-butylphenol;phenol;4-propylphenol

C25H32O3 — CID 157420199

IUPAC4-butylphenol;phenol;4-propylphenol
SMILESCCCCc1ccc(O)cc1.CCCc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C10H14O.C9H12O.C6H6O/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-3-8-4-6-9(10)7-5-8;7-6-4-2-1-3-5-6/h5-8,11H,2-4H2,1H3;4-7,10H,2-3H2,1H3;1-5,7H
InChIKeyBPHVYPVBMPKUEG-UHFFFAOYSA-N
MW380.53 g/mol
LogP6.47
Rot. Bonds5

About 4-butylphenol;phenol;4-propylphenol

4-butylphenol;phenol;4-propylphenol (PubChem CID 157420199) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-butylphenol;phenol;4-propylphenol.

Molecular Properties

Compound Name4-butylphenol;phenol;4-propylphenol
PubChem CID157420199
Molecular FormulaC25H32O3
Molecular Weight380.53 g/mol
Exact Mass380.24
IUPAC Name4-butylphenol;phenol;4-propylphenol
SMILESCCCCc1ccc(O)cc1.CCCc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C10H14O.C9H12O.C6H6O/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-3-8-4-6-9(10)7-5-8;7-6-4-2-1-3-5-6/h5-8,11H,2-4H2,1H3;4-7,10H,2-3H2,1H3;1-5,7H
InChIKeyBPHVYPVBMPKUEG-UHFFFAOYSA-N
XLogP6.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-methylbenzene;phenol
CID 174834955
4-butylphenol;tungsten
CID 174758928
phenol;propylbenzene
CID 18469730
lithium;4-butylphenol;hydride
CID 174758234
butylbenzene;propylbenzene
CID 142022125
4-propylphenol;toluene
CID 174488913
dodecylbenzene;phenol
CID 159734519
4-butylphenol;propanoic acid
CID 70308169
4-butylbenzene-1,2-diol;phenol
CID 170169190
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804

Frequently Asked Questions

What is the IUPAC name of 4-butylphenol;phenol;4-propylphenol?
The IUPAC name of 4-butylphenol;phenol;4-propylphenol (CID 157420199) is 4-butylphenol;phenol;4-propylphenol.
What is the SMILES notation for 4-butylphenol;phenol;4-propylphenol?
The canonical SMILES for 4-butylphenol;phenol;4-propylphenol is CCCCc1ccc(O)cc1.CCCc1ccc(O)cc1.Oc1ccccc1.
What is the InChIKey of 4-butylphenol;phenol;4-propylphenol?
The InChIKey is BPHVYPVBMPKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H12O.C6H6O/c1-2-3-4-9-5-7-10(11)8-6-9;1-2-3-8-4-6-9(10)7-5-8;7-6-4-2-1-3-5-6/h5-8,11H,2-4H2,1H3;4-7,10H,2-3H2,1H3;1-5,7H.
What are the key properties of 4-butylphenol;phenol;4-propylphenol?
4-butylphenol;phenol;4-propylphenol has a molecular weight of 380.53 g/mol, XLogP of 6.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylphenol;phenol;4-propylphenol is sourced from PubChem (CID 157420199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).