3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol

C22H20O2 — CID 156522095

IUPAC3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol
SMILESOCCC1C=Cc2cc(C3=CC(c4cccc(O)c4)=CC3)ccc21
InChIInChI=1S/C22H20O2/c23-11-10-15-4-7-20-13-19(8-9-22(15)20)18-6-5-17(12-18)16-2-1-3-21(24)14-16/h1-5,7-9,12-15,23-24H,6,10-11H2
InChIKeyYJUQVUWAPLKWCX-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.76
Rot. Bonds4

About 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol

3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol (PubChem CID 156522095) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol.

Molecular Properties

Compound Name3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol
PubChem CID156522095
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol
SMILESOCCC1C=Cc2cc(C3=CC(c4cccc(O)c4)=CC3)ccc21
InChIInChI=1S/C22H20O2/c23-11-10-15-4-7-20-13-19(8-9-22(15)20)18-6-5-17(12-18)16-2-1-3-21(24)14-16/h1-5,7-9,12-15,23-24H,6,10-11H2
InChIKeyYJUQVUWAPLKWCX-UHFFFAOYSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol?
The IUPAC name of 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol (CID 156522095) is 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol.
What is the SMILES notation for 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol?
The canonical SMILES for 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol is OCCC1C=Cc2cc(C3=CC(c4cccc(O)c4)=CC3)ccc21.
What is the InChIKey of 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol?
The InChIKey is YJUQVUWAPLKWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c23-11-10-15-4-7-20-13-19(8-9-22(15)20)18-6-5-17(12-18)16-2-1-3-21(24)14-16/h1-5,7-9,12-15,23-24H,6,10-11H2.
What are the key properties of 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol?
3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol has a molecular weight of 316.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2-hydroxyethyl)-1H-inden-5-yl]cyclopenta-1,4-dien-1-yl]phenol is sourced from PubChem (CID 156522095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).