4-[2-(4-pentylphenyl)ethyl]phenol

C19H24O — CID 57152203

IUPAC4-[2-(4-pentylphenyl)ethyl]phenol
SMILESCCCCCc1ccc(CCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H24O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15,20H,2-5,10-11H2,1H3
InChIKeyKHXAUQKMOFQQPU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.91
Rot. Bonds7

About 4-[2-(4-pentylphenyl)ethyl]phenol

4-[2-(4-pentylphenyl)ethyl]phenol (PubChem CID 57152203) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[2-(4-pentylphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-pentylphenyl)ethyl]phenol
PubChem CID57152203
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name4-[2-(4-pentylphenyl)ethyl]phenol
SMILESCCCCCc1ccc(CCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H24O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15,20H,2-5,10-11H2,1H3
InChIKeyKHXAUQKMOFQQPU-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.91
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

tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
methanolate;nickel(3+);4-octylphenol
CID 159960852
4-butylphenol;tungsten
CID 174758928
lithium;4-butylphenol;hydride
CID 174758234
tris(4-nonylphenol);phosphoric acid
CID 71361187
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-pentylphenyl)ethyl]phenol?
The IUPAC name of 4-[2-(4-pentylphenyl)ethyl]phenol (CID 57152203) is 4-[2-(4-pentylphenyl)ethyl]phenol.
What is the SMILES notation for 4-[2-(4-pentylphenyl)ethyl]phenol?
The canonical SMILES for 4-[2-(4-pentylphenyl)ethyl]phenol is CCCCCc1ccc(CCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-pentylphenyl)ethyl]phenol?
The InChIKey is KHXAUQKMOFQQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15,20H,2-5,10-11H2,1H3.
What are the key properties of 4-[2-(4-pentylphenyl)ethyl]phenol?
4-[2-(4-pentylphenyl)ethyl]phenol has a molecular weight of 268.40 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-pentylphenyl)ethyl]phenol is sourced from PubChem (CID 57152203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).