2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one

C19H18O4 — CID 170194757

IUPAC2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
SMILESO=c1c(-c2ccccc2)c1-c1ccc(OCCOCCO)cc1
InChIInChI=1S/C19H18O4/c20-10-11-22-12-13-23-16-8-6-15(7-9-16)18-17(19(18)21)14-4-2-1-3-5-14/h1-9,20H,10-13H2
InChIKeyIQTNGLQRJQNKMN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one

2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one (PubChem CID 170194757) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
PubChem CID170194757
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
SMILESO=c1c(-c2ccccc2)c1-c1ccc(OCCOCCO)cc1
InChIInChI=1S/C19H18O4/c20-10-11-22-12-13-23-16-8-6-15(7-9-16)18-17(19(18)21)14-4-2-1-3-5-14/h1-9,20H,10-13H2
InChIKeyIQTNGLQRJQNKMN-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
CID 137254418
2-[2-[2-[2-[4-[2-[2-[2-[2-(4-tritylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10819033
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
4-aminobenzoic acid;2-(2-phenoxyethoxy)ethanol
CID 71320764
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 22315906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one?
The IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one (CID 170194757) is 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one?
The canonical SMILES for 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one is O=c1c(-c2ccccc2)c1-c1ccc(OCCOCCO)cc1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one?
The InChIKey is IQTNGLQRJQNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c20-10-11-22-12-13-23-16-8-6-15(7-9-16)18-17(19(18)21)14-4-2-1-3-5-14/h1-9,20H,10-13H2.
What are the key properties of 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one?
2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one has a molecular weight of 310.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one is sourced from PubChem (CID 170194757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).