4-methyl-2-(3-propylphenyl)phenol

C16H18O — CID 116546527

IUPAC4-methyl-2-(3-propylphenyl)phenol
SMILESCCCc1cccc(-c2cc(C)ccc2O)c1
InChIInChI=1S/C16H18O/c1-3-5-13-6-4-7-14(11-13)15-10-12(2)8-9-16(15)17/h4,6-11,17H,3,5H2,1-2H3
InChIKeyIATPTRAGPNCFCL-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.32
Rot. Bonds3

About 4-methyl-2-(3-propylphenyl)phenol

4-methyl-2-(3-propylphenyl)phenol (PubChem CID 116546527) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-2-(3-propylphenyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(3-propylphenyl)phenol
PubChem CID116546527
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-methyl-2-(3-propylphenyl)phenol
SMILESCCCc1cccc(-c2cc(C)ccc2O)c1
InChIInChI=1S/C16H18O/c1-3-5-13-6-4-7-14(11-13)15-10-12(2)8-9-16(15)17/h4,6-11,17H,3,5H2,1-2H3
InChIKeyIATPTRAGPNCFCL-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
CID 68870156
4-propyl-6-(3-propylphenyl)benzene-1,3-diol
CID 71009376
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
2-(3-propylphenyl)pyridin-3-ol
CID 116546530
5-methyl-3-(3-propylphenyl)pyridin-2-amine
CID 116545619
2-[4-(aminomethyl)phenyl]-4-methylphenol
CID 82039072
1-phenyl-3-propylbenzene
CID 4110465
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propylphenyl)phenol?
The IUPAC name of 4-methyl-2-(3-propylphenyl)phenol (CID 116546527) is 4-methyl-2-(3-propylphenyl)phenol.
What is the SMILES notation for 4-methyl-2-(3-propylphenyl)phenol?
The canonical SMILES for 4-methyl-2-(3-propylphenyl)phenol is CCCc1cccc(-c2cc(C)ccc2O)c1.
What is the InChIKey of 4-methyl-2-(3-propylphenyl)phenol?
The InChIKey is IATPTRAGPNCFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-5-13-6-4-7-14(11-13)15-10-12(2)8-9-16(15)17/h4,6-11,17H,3,5H2,1-2H3.
What are the key properties of 4-methyl-2-(3-propylphenyl)phenol?
4-methyl-2-(3-propylphenyl)phenol has a molecular weight of 226.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propylphenyl)phenol is sourced from PubChem (CID 116546527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).