4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one

C17H16O3 — CID 63091023

IUPAC4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC(O)c3ccccc3)cccc21
InChIInChI=1S/C17H16O3/c18-15-10-9-14-13(15)7-4-8-17(14)20-11-16(19)12-5-2-1-3-6-12/h1-8,16,19H,9-11H2
InChIKeyZLKNUXKFYTXAJQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.93
Rot. Bonds4

About 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one

4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one (PubChem CID 63091023) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one
PubChem CID63091023
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC(O)c3ccccc3)cccc21
InChIInChI=1S/C17H16O3/c18-15-10-9-14-13(15)7-4-8-17(14)20-11-16(19)12-5-2-1-3-6-12/h1-8,16,19H,9-11H2
InChIKeyZLKNUXKFYTXAJQ-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutoxy)-2,3-dihydroinden-1-one
CID 63091746
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]-2,3-dihydroinden-1-one
CID 109415621
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
CID 70244273
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
(1S,2R)-2-amino-1-phenylpropan-1-ol;5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 134210485
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
CID 60878238
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
4-(4,4-dimethylpentoxy)-2,3-dihydroinden-1-one
CID 114209493

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one (CID 63091023) is 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one is O=C1CCc2c(OCC(O)c3ccccc3)cccc21.
What is the InChIKey of 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one?
The InChIKey is ZLKNUXKFYTXAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-15-10-9-14-13(15)7-4-8-17(14)20-11-16(19)12-5-2-1-3-6-12/h1-8,16,19H,9-11H2.
What are the key properties of 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one?
4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one has a molecular weight of 268.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 63091023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).