4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol

C18H22O — CID 67768324

IUPAC4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol
SMILESCCCCCC(Cc1ccc(O)cc1)=C1C=CC=C1
InChIInChI=1S/C18H22O/c1-2-3-4-9-17(16-7-5-6-8-16)14-15-10-12-18(19)13-11-15/h5-8,10-13,19H,2-4,9,14H2,1H3
InChIKeyARAKDDIGTHJFFR-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.94
Rot. Bonds6

About 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol

4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol (PubChem CID 67768324) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol.

Molecular Properties

Compound Name4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol
PubChem CID67768324
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol
SMILESCCCCCC(Cc1ccc(O)cc1)=C1C=CC=C1
InChIInChI=1S/C18H22O/c1-2-3-4-9-17(16-7-5-6-8-16)14-15-10-12-18(19)13-11-15/h5-8,10-13,19H,2-4,9,14H2,1H3
InChIKeyARAKDDIGTHJFFR-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
1-cyclopenta-2,4-dien-1-ylidenedecan-1-ol
CID 158894608
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-butylphenol;tungsten
CID 174758928
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
lithium;4-butylphenol;hydride
CID 174758234

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol?
The IUPAC name of 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol (CID 67768324) is 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol.
What is the SMILES notation for 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol?
The canonical SMILES for 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol is CCCCCC(Cc1ccc(O)cc1)=C1C=CC=C1.
What is the InChIKey of 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol?
The InChIKey is ARAKDDIGTHJFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-3-4-9-17(16-7-5-6-8-16)14-15-10-12-18(19)13-11-15/h5-8,10-13,19H,2-4,9,14H2,1H3.
What are the key properties of 4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)phenol?
4-(2-cyclopenta-2,4-dien-1-ylideneheptyl)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-cyclopenta-2,4-dien-1-ylideneheptyl)phenol is sourced from PubChem (CID 67768324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).