4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol

C24H26O2 — CID 118056050

IUPAC4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol
SMILESCCCCCC(C1=CC=CC1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26O2/c1-2-3-4-9-23(18-7-5-6-8-18)24(19-10-14-21(25)15-11-19)20-12-16-22(26)17-13-20/h5-7,10-17,25-26H,2-4,8-9H2,1H3
InChIKeyJIFRZNITLVSLPB-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.37
Rot. Bonds7

About 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol

4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol (PubChem CID 118056050) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol
PubChem CID118056050
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol
SMILESCCCCCC(C1=CC=CC1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26O2/c1-2-3-4-9-23(18-7-5-6-8-18)24(19-10-14-21(25)15-11-19)20-12-16-22(26)17-13-20/h5-7,10-17,25-26H,2-4,8-9H2,1H3
InChIKeyJIFRZNITLVSLPB-UHFFFAOYSA-N
XLogP6.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.37
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

4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 118056063
ethyl 3-cyclopenta-1,3-dien-1-yl-4,4-bis(4-hydroxyphenyl)but-3-enoate
CID 118056056
1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
CID 101481272
4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol
CID 123434442
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
4-[1-(4-hydroxyphenyl)-2-(4-prop-1-ynylphenyl)hex-1-enyl]phenol;methanol
CID 143470826
3-[4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenyl]propanoic acid
CID 69293174
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
N-[4-[(E)-2-cyclohexa-1,3-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenyl]-2-piperidin-1-ylacetamide
CID 163750790
(Z)-1-(4-hydroxyphenyl)octadec-9-en-1-one
CID 14228728

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol?
The IUPAC name of 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol (CID 118056050) is 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol.
What is the SMILES notation for 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol?
The canonical SMILES for 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol is CCCCCC(C1=CC=CC1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol?
The InChIKey is JIFRZNITLVSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-2-3-4-9-23(18-7-5-6-8-18)24(19-10-14-21(25)15-11-19)20-12-16-22(26)17-13-20/h5-7,10-17,25-26H,2-4,8-9H2,1H3.
What are the key properties of 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol?
4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol has a molecular weight of 346.47 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol is sourced from PubChem (CID 118056050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).