4-(4-methylpentyl)phenol;phenol

C18H24O2 — CID 174866001

IUPAC4-(4-methylpentyl)phenol;phenol
SMILESCC(C)CCCc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C12H18O.C6H6O/c1-10(2)4-3-5-11-6-8-12(13)9-7-11;7-6-4-2-1-3-5-6/h6-10,13H,3-5H2,1-2H3;1-5,7H
InChIKeyOZBKIIOZESNZJJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-methylpentyl)phenol;phenol

4-(4-methylpentyl)phenol;phenol (PubChem CID 174866001) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(4-methylpentyl)phenol;phenol.

Molecular Properties

Compound Name4-(4-methylpentyl)phenol;phenol
PubChem CID174866001
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4-(4-methylpentyl)phenol;phenol
SMILESCC(C)CCCc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C12H18O.C6H6O/c1-10(2)4-3-5-11-6-8-12(13)9-7-11;7-6-4-2-1-3-5-6/h6-10,13H,3-5H2,1-2H3;1-5,7H
InChIKeyOZBKIIOZESNZJJ-UHFFFAOYSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-butylphenol;phenol;4-propylphenol
CID 157420199
ethane;5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 156638477
4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
4-(5,5-diphenylpentyl)phenol
CID 66865945
2-(4-methylpentyl)anthracene-9,10-diol
CID 86254465
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[4-(4-methylpentyl)phenyl]butan-1-amine
CID 143596731
4-(3-methylpentyl)phenol
CID 57225129
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentyl)phenol;phenol?
The IUPAC name of 4-(4-methylpentyl)phenol;phenol (CID 174866001) is 4-(4-methylpentyl)phenol;phenol.
What is the SMILES notation for 4-(4-methylpentyl)phenol;phenol?
The canonical SMILES for 4-(4-methylpentyl)phenol;phenol is CC(C)CCCc1ccc(O)cc1.Oc1ccccc1.
What is the InChIKey of 4-(4-methylpentyl)phenol;phenol?
The InChIKey is OZBKIIOZESNZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C6H6O/c1-10(2)4-3-5-11-6-8-12(13)9-7-11;7-6-4-2-1-3-5-6/h6-10,13H,3-5H2,1-2H3;1-5,7H.
What are the key properties of 4-(4-methylpentyl)phenol;phenol?
4-(4-methylpentyl)phenol;phenol has a molecular weight of 272.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentyl)phenol;phenol is sourced from PubChem (CID 174866001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).