2-(2-hydroxyphenyl)-6-pentylphenol

C17H20O2 — CID 174858636

IUPAC2-(2-hydroxyphenyl)-6-pentylphenol
SMILESCCCCCc1cccc(-c2ccccc2O)c1O
InChIInChI=1S/C17H20O2/c1-2-3-4-8-13-9-7-11-15(17(13)19)14-10-5-6-12-16(14)18/h5-7,9-12,18-19H,2-4,8H2,1H3
InChIKeyDXZWZUMSYBIONY-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.50
Rot. Bonds5

About 2-(2-hydroxyphenyl)-6-pentylphenol

2-(2-hydroxyphenyl)-6-pentylphenol (PubChem CID 174858636) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-6-pentylphenol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-6-pentylphenol
PubChem CID174858636
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-(2-hydroxyphenyl)-6-pentylphenol
SMILESCCCCCc1cccc(-c2ccccc2O)c1O
InChIInChI=1S/C17H20O2/c1-2-3-4-8-13-9-7-11-15(17(13)19)14-10-5-6-12-16(14)18/h5-7,9-12,18-19H,2-4,8H2,1H3
InChIKeyDXZWZUMSYBIONY-UHFFFAOYSA-N
XLogP4.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pentylphenyl)phenol
CID 66866892
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
2-dodecylphenol
CID 160834917
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
2-methyl-6-undecylphenol
CID 174998801
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-6-pentylphenol?
The IUPAC name of 2-(2-hydroxyphenyl)-6-pentylphenol (CID 174858636) is 2-(2-hydroxyphenyl)-6-pentylphenol.
What is the SMILES notation for 2-(2-hydroxyphenyl)-6-pentylphenol?
The canonical SMILES for 2-(2-hydroxyphenyl)-6-pentylphenol is CCCCCc1cccc(-c2ccccc2O)c1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-6-pentylphenol?
The InChIKey is DXZWZUMSYBIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-3-4-8-13-9-7-11-15(17(13)19)14-10-5-6-12-16(14)18/h5-7,9-12,18-19H,2-4,8H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-6-pentylphenol?
2-(2-hydroxyphenyl)-6-pentylphenol has a molecular weight of 256.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-6-pentylphenol is sourced from PubChem (CID 174858636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).