4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol

C18H22O — CID 67768326

IUPAC4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol
SMILESCCCCCC1=CC=CC1=CCc1ccc(O)cc1
InChIInChI=1S/C18H22O/c1-2-3-4-6-16-7-5-8-17(16)12-9-15-10-13-18(19)14-11-15/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKeyNVWGXYWGMCGYSM-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.94
Rot. Bonds6

About 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol

4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol (PubChem CID 67768326) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol
PubChem CID67768326
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol
SMILESCCCCCC1=CC=CC1=CCc1ccc(O)cc1
InChIInChI=1S/C18H22O/c1-2-3-4-6-16-7-5-8-17(16)12-9-15-10-13-18(19)14-11-15/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKeyNVWGXYWGMCGYSM-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.94
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-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
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
methanolate;nickel(3+);4-octylphenol
CID 159960852
calcium;4-dodecylphenol;hydride;sulfane
CID 174796411
4-butylphenol;tungsten
CID 174758928
tris(4-nonylphenol);phosphoric acid
CID 71361187
4-(2-pentoxyethyl)phenol
CID 67806399

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol?
The IUPAC name of 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol (CID 67768326) is 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol?
The canonical SMILES for 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol is CCCCCC1=CC=CC1=CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol?
The InChIKey is NVWGXYWGMCGYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-3-4-6-16-7-5-8-17(16)12-9-15-10-13-18(19)14-11-15/h5,7-8,10-14,19H,2-4,6,9H2,1H3.
What are the key properties of 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol?
4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol has a molecular weight of 254.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-pentylcyclopenta-2,4-dien-1-ylidene)ethyl]phenol is sourced from PubChem (CID 67768326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).