4-[2-(4-pentylphenyl)propan-2-yl]phenol

C20H26O — CID 174631363

IUPAC4-[2-(4-pentylphenyl)propan-2-yl]phenol
SMILESCCCCCc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O/c1-4-5-6-7-16-8-10-17(11-9-16)20(2,3)18-12-14-19(21)15-13-18/h8-15,21H,4-7H2,1-3H3
InChIKeyXZWPJXTWIMXSMV-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.45
Rot. Bonds6

About 4-[2-(4-pentylphenyl)propan-2-yl]phenol

4-[2-(4-pentylphenyl)propan-2-yl]phenol (PubChem CID 174631363) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[2-(4-pentylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-pentylphenyl)propan-2-yl]phenol
PubChem CID174631363
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-[2-(4-pentylphenyl)propan-2-yl]phenol
SMILESCCCCCc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O/c1-4-5-6-7-16-8-10-17(11-9-16)20(2,3)18-12-14-19(21)15-13-18/h8-15,21H,4-7H2,1-3H3
InChIKeyXZWPJXTWIMXSMV-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.45
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-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
4-[2-(4-heptylphenyl)-2-methylpropyl]phenol
CID 67225424
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
methanolate;nickel(3+);4-octylphenol
CID 159960852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-pentylphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[2-(4-pentylphenyl)propan-2-yl]phenol (CID 174631363) is 4-[2-(4-pentylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-(4-pentylphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-(4-pentylphenyl)propan-2-yl]phenol is CCCCCc1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-pentylphenyl)propan-2-yl]phenol?
The InChIKey is XZWPJXTWIMXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-4-5-6-7-16-8-10-17(11-9-16)20(2,3)18-12-14-19(21)15-13-18/h8-15,21H,4-7H2,1-3H3.
What are the key properties of 4-[2-(4-pentylphenyl)propan-2-yl]phenol?
4-[2-(4-pentylphenyl)propan-2-yl]phenol has a molecular weight of 282.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-pentylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 174631363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).