1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol

C17H16O2 — CID 11615788

IUPAC1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESCCC1=C(c2ccc(O)cc2)Cc2cc(O)ccc21
InChIInChI=1S/C17H16O2/c1-2-15-16-8-7-14(19)9-12(16)10-17(15)11-3-5-13(18)6-4-11/h3-9,18-19H,2,10H2,1H3
InChIKeyNDOHHPHBVZUFJE-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.97
Rot. Bonds2

About 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol

1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol (PubChem CID 11615788) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol
PubChem CID11615788
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESCCC1=C(c2ccc(O)cc2)Cc2cc(O)ccc21
InChIInChI=1S/C17H16O2/c1-2-15-16-8-7-14(19)9-12(16)10-17(15)11-3-5-13(18)6-4-11/h3-9,18-19H,2,10H2,1H3
InChIKeyNDOHHPHBVZUFJE-UHFFFAOYSA-N
XLogP3.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The IUPAC name of 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol (CID 11615788) is 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol.
What is the SMILES notation for 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The canonical SMILES for 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol is CCC1=C(c2ccc(O)cc2)Cc2cc(O)ccc21.
What is the InChIKey of 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The InChIKey is NDOHHPHBVZUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-15-16-8-7-14(19)9-12(16)10-17(15)11-3-5-13(18)6-4-11/h3-9,18-19H,2,10H2,1H3.
What are the key properties of 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol?
1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol has a molecular weight of 252.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-hydroxyphenyl)-3H-inden-5-ol is sourced from PubChem (CID 11615788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).