5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one

C17H16O2 — CID 24995497

IUPAC5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one
SMILESCCc1cc(-c2ccc3c(c2)CCC3=O)ccc1O
InChIInChI=1S/C17H16O2/c1-2-11-9-13(4-7-16(11)18)12-3-6-15-14(10-12)5-8-17(15)19/h3-4,6-7,9-10,18H,2,5,8H2,1H3
InChIKeyOSYADFWIZPMZMN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.75
Rot. Bonds2

About 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one

5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 24995497) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one
PubChem CID24995497
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one
SMILESCCc1cc(-c2ccc3c(c2)CCC3=O)ccc1O
InChIInChI=1S/C17H16O2/c1-2-11-9-13(4-7-16(11)18)12-3-6-15-14(10-12)5-8-17(15)19/h3-4,6-7,9-10,18H,2,5,8H2,1H3
InChIKeyOSYADFWIZPMZMN-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one (CID 24995497) is 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one is CCc1cc(-c2ccc3c(c2)CCC3=O)ccc1O.
What is the InChIKey of 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is OSYADFWIZPMZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-11-9-13(4-7-16(11)18)12-3-6-15-14(10-12)5-8-17(15)19/h3-4,6-7,9-10,18H,2,5,8H2,1H3.
What are the key properties of 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one?
5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-hydroxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 24995497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).