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

C22H22O3 — CID 141456469

IUPAC4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESOCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1C=CC=C1
InChIInChI=1S/C22H22O3/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/h1-2,4-5,7-14,16,23-25H,3,6,15H2
InChIKeyRFDMOEOQKDUQMC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.41
Rot. Bonds6

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

4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol (PubChem CID 141456469) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol
PubChem CID141456469
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESOCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1C=CC=C1
InChIInChI=1S/C22H22O3/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/h1-2,4-5,7-14,16,23-25H,3,6,15H2
InChIKeyRFDMOEOQKDUQMC-UHFFFAOYSA-N
XLogP4.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol (CID 141456469) is 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol is OCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1C=CC=C1.
What is the InChIKey of 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The InChIKey is RFDMOEOQKDUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/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/h1-2,4-5,7-14,16,23-25H,3,6,15H2.
What are the key properties of 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol is sourced from PubChem (CID 141456469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).