4-(3-methylpentyl)phenol

C12H18O — CID 57225129

IUPAC4-(3-methylpentyl)phenol
SMILESCCC(C)CCc1ccc(O)cc1
InChIInChI=1S/C12H18O/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h6-10,13H,3-5H2,1-2H3
InChIKeyXZTCBDCMLWWRLG-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.37
Rot. Bonds4

About 4-(3-methylpentyl)phenol

4-(3-methylpentyl)phenol (PubChem CID 57225129) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(3-methylpentyl)phenol.

Molecular Properties

Compound Name4-(3-methylpentyl)phenol
PubChem CID57225129
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name4-(3-methylpentyl)phenol
SMILESCCC(C)CCc1ccc(O)cc1
InChIInChI=1S/C12H18O/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h6-10,13H,3-5H2,1-2H3
InChIKeyXZTCBDCMLWWRLG-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-dimethyloctyl)phenol
CID 174906830
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
1,4-bis(4-methylhexyl)benzene
CID 145016441
5-(4-hydroxyphenyl)-3-methylpentanenitrile
CID 14742686
4-[3-(2-methylbutylamino)propyl]phenol
CID 115887589
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-butylphenol;tungsten
CID 174758928
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentyl)phenol?
The IUPAC name of 4-(3-methylpentyl)phenol (CID 57225129) is 4-(3-methylpentyl)phenol.
What is the SMILES notation for 4-(3-methylpentyl)phenol?
The canonical SMILES for 4-(3-methylpentyl)phenol is CCC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-(3-methylpentyl)phenol?
The InChIKey is XZTCBDCMLWWRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h6-10,13H,3-5H2,1-2H3.
What are the key properties of 4-(3-methylpentyl)phenol?
4-(3-methylpentyl)phenol has a molecular weight of 178.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentyl)phenol is sourced from PubChem (CID 57225129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).