1-butyl-4-methylbenzene;phenol

C17H22O — CID 174834955

IUPAC1-butyl-4-methylbenzene;phenol
SMILESCCCCc1ccc(C)cc1.Oc1ccccc1
InChIInChI=1S/C11H16.C6H6O/c1-3-4-5-11-8-6-10(2)7-9-11;7-6-4-2-1-3-5-6/h6-9H,3-5H2,1-2H3;1-5,7H
InChIKeyFLBFCIZPFLTLOS-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.73
Rot. Bonds3

About 1-butyl-4-methylbenzene;phenol

1-butyl-4-methylbenzene;phenol (PubChem CID 174834955) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-butyl-4-methylbenzene;phenol.

Molecular Properties

Compound Name1-butyl-4-methylbenzene;phenol
PubChem CID174834955
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-butyl-4-methylbenzene;phenol
SMILESCCCCc1ccc(C)cc1.Oc1ccccc1
InChIInChI=1S/C11H16.C6H6O/c1-3-4-5-11-8-6-10(2)7-9-11;7-6-4-2-1-3-5-6/h6-9H,3-5H2,1-2H3;1-5,7H
InChIKeyFLBFCIZPFLTLOS-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butylphenol;phenol;4-propylphenol
CID 157420199
4-propylphenol;toluene
CID 174488913
dodecylbenzene;phenol
CID 159734519
1-hexyl-4-methylbenzene;toluene
CID 173071388
4-butylphenol;tungsten
CID 174758928
4-butylbenzene-1,2-diol;phenol
CID 170169190
lithium;4-butylphenol;hydride
CID 174758234
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
1-butyl-4-methylbenzene;formic acid
CID 177221373
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
1-butyl-4-phenylbenzene;ethane
CID 143743409

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylbenzene;phenol?
The IUPAC name of 1-butyl-4-methylbenzene;phenol (CID 174834955) is 1-butyl-4-methylbenzene;phenol.
What is the SMILES notation for 1-butyl-4-methylbenzene;phenol?
The canonical SMILES for 1-butyl-4-methylbenzene;phenol is CCCCc1ccc(C)cc1.Oc1ccccc1.
What is the InChIKey of 1-butyl-4-methylbenzene;phenol?
The InChIKey is FLBFCIZPFLTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C6H6O/c1-3-4-5-11-8-6-10(2)7-9-11;7-6-4-2-1-3-5-6/h6-9H,3-5H2,1-2H3;1-5,7H.
What are the key properties of 1-butyl-4-methylbenzene;phenol?
1-butyl-4-methylbenzene;phenol has a molecular weight of 242.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylbenzene;phenol is sourced from PubChem (CID 174834955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).