4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol

C22H21ClO2 — CID 118056063

IUPAC4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESOc1ccc(C(=C(CCCCl)C2=CC=CC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21ClO2/c23-15-3-6-21(16-4-1-2-5-16)22(17-7-11-19(24)12-8-17)18-9-13-20(25)14-10-18/h1-2,4,7-14,24-25H,3,5-6,15H2
InChIKeyJFEXDQLXHAOUMM-UHFFFAOYSA-N
MW352.86 g/mol
LogP5.80
Rot. Bonds6

About 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol

4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol (PubChem CID 118056063) has the molecular formula C22H21ClO2 and a molecular weight of 352.86 g/mol. Its IUPAC name is 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
PubChem CID118056063
Molecular FormulaC22H21ClO2
Molecular Weight352.86 g/mol
Exact Mass352.12
IUPAC Name4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESOc1ccc(C(=C(CCCCl)C2=CC=CC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21ClO2/c23-15-3-6-21(16-4-1-2-5-16)22(17-7-11-19(24)12-8-17)18-9-13-20(25)14-10-18/h1-2,4,7-14,24-25H,3,5-6,15H2
InChIKeyJFEXDQLXHAOUMM-UHFFFAOYSA-N
XLogP5.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.86
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol
CID 118056050
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-[(Z)-5-chloro-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl] 3,3-dimethylbutanoate
CID 11397095
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
CID 11554354
CID 11554354
[4-[(Z)-5-chloro-1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenyl] 3-methylbut-3-enoate
CID 89186517
4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 129225796
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]-4-ethoxybenzene;4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenol;ethane;propane;bis(yttrium)
CID 159007370
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
CID 16743767

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol (CID 118056063) is 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol is Oc1ccc(C(=C(CCCCl)C2=CC=CC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The InChIKey is JFEXDQLXHAOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClO2/c23-15-3-6-21(16-4-1-2-5-16)22(17-7-11-19(24)12-8-17)18-9-13-20(25)14-10-18/h1-2,4,7-14,24-25H,3,5-6,15H2.
What are the key properties of 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol has a molecular weight of 352.86 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol is sourced from PubChem (CID 118056063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).