4-pentyl-2-phenylphenol

C17H20O — CID 154147556

IUPAC4-pentyl-2-phenylphenol
SMILESCCCCCc1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C17H20O/c1-2-3-5-8-14-11-12-17(18)16(13-14)15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKeyLKHUSZRKORDICB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.79
Rot. Bonds5

About 4-pentyl-2-phenylphenol

4-pentyl-2-phenylphenol (PubChem CID 154147556) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-pentyl-2-phenylphenol.

Molecular Properties

Compound Name4-pentyl-2-phenylphenol
PubChem CID154147556
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name4-pentyl-2-phenylphenol
SMILESCCCCCc1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C17H20O/c1-2-3-5-8-14-11-12-17(18)16(13-14)15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKeyLKHUSZRKORDICB-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
4-(3-bromopropyl)-2-phenylphenol
CID 174496150
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
2,5-dibutyl-3-phenylphenol
CID 122215941
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328
4-pentyl-2-phenylbenzonitrile
CID 156772995
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2-phenylphenol?
The IUPAC name of 4-pentyl-2-phenylphenol (CID 154147556) is 4-pentyl-2-phenylphenol.
What is the SMILES notation for 4-pentyl-2-phenylphenol?
The canonical SMILES for 4-pentyl-2-phenylphenol is CCCCCc1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-pentyl-2-phenylphenol?
The InChIKey is LKHUSZRKORDICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-2-3-5-8-14-11-12-17(18)16(13-14)15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3.
What are the key properties of 4-pentyl-2-phenylphenol?
4-pentyl-2-phenylphenol has a molecular weight of 240.35 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2-phenylphenol is sourced from PubChem (CID 154147556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).