4-propylphenol;toluene

C16H20O — CID 174488913

IUPAC4-propylphenol;toluene
SMILESCCCc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C9H12O.C7H8/c1-2-3-8-4-6-9(10)7-5-8;1-7-5-3-2-4-6-7/h4-7,10H,2-3H2,1H3;2-6H,1H3
InChIKeyLIJLFGMNTPTYRM-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.34
Rot. Bonds2

About 4-propylphenol;toluene

4-propylphenol;toluene (PubChem CID 174488913) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-propylphenol;toluene.

Molecular Properties

Compound Name4-propylphenol;toluene
PubChem CID174488913
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name4-propylphenol;toluene
SMILESCCCc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C9H12O.C7H8/c1-2-3-8-4-6-9(10)7-5-8;1-7-5-3-2-4-6-7/h4-7,10H,2-3H2,1H3;2-6H,1H3
InChIKeyLIJLFGMNTPTYRM-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-propylphenol;toluene 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

benzene;propylbenzene;toluene
CID 142060228
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
phenol;propylbenzene
CID 18469730
4-butylphenol;phenol;4-propylphenol
CID 157420199
1-butyl-4-methylbenzene;phenol
CID 174834955
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
butane;methane;propane;propylbenzene;toluene
CID 160913723
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
CID 175306290
CID 175306290
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
ethyl 4-hydroxybenzoate;propylbenzene
CID 174891390

Frequently Asked Questions

What is the IUPAC name of 4-propylphenol;toluene?
The IUPAC name of 4-propylphenol;toluene (CID 174488913) is 4-propylphenol;toluene.
What is the SMILES notation for 4-propylphenol;toluene?
The canonical SMILES for 4-propylphenol;toluene is CCCc1ccc(O)cc1.Cc1ccccc1.
What is the InChIKey of 4-propylphenol;toluene?
The InChIKey is LIJLFGMNTPTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C7H8/c1-2-3-8-4-6-9(10)7-5-8;1-7-5-3-2-4-6-7/h4-7,10H,2-3H2,1H3;2-6H,1H3.
What are the key properties of 4-propylphenol;toluene?
4-propylphenol;toluene has a molecular weight of 228.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylphenol;toluene is sourced from PubChem (CID 174488913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).