1H-inden-1-yl formate

C10H8O2 — CID 54514146

IUPAC1H-inden-1-yl formate
SMILESO=COC1C=Cc2ccccc21
InChIInChI=1S/C10H8O2/c11-7-12-10-6-5-8-3-1-2-4-9(8)10/h1-7,10H
InChIKeyPGGSHNUBONOISA-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.93
Rot. Bonds2

About 1H-inden-1-yl formate

1H-inden-1-yl formate (PubChem CID 54514146) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1H-inden-1-yl formate.

Molecular Properties

Compound Name1H-inden-1-yl formate
PubChem CID54514146
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name1H-inden-1-yl formate
SMILESO=COC1C=Cc2ccccc21
InChIInChI=1S/C10H8O2/c11-7-12-10-6-5-8-3-1-2-4-9(8)10/h1-7,10H
InChIKeyPGGSHNUBONOISA-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1H-inden-1-yl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-inden-1-yl carbamate
CID 57124867
1H-isothiochromen-1-yl formate
CID 174313609
1-prop-2-enoxy-1H-indene
CID 166691848
1H-inden-1-yl 2,2,2-trichloroacetate
CID 134849846
1H-inden-1-yloxy(triphenyl)phosphanium
CID 139734736
(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde
CID 10749718
1H-indene-1-sulfinic acid
CID 57090010
1H-inden-1-yl (2S)-2-amino-4-methylpentanoate
CID 123870032
1H-inden-1-yl hexanoate
CID 19688742
1H-inden-1-amine
CID 14298803
CID 164810428
CID 164810428
1H-inden-1-yl(trimethyl)plumbane
CID 23269464

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl formate?
The IUPAC name of 1H-inden-1-yl formate (CID 54514146) is 1H-inden-1-yl formate.
What is the SMILES notation for 1H-inden-1-yl formate?
The canonical SMILES for 1H-inden-1-yl formate is O=COC1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl formate?
The InChIKey is PGGSHNUBONOISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-7-12-10-6-5-8-3-1-2-4-9(8)10/h1-7,10H.
What are the key properties of 1H-inden-1-yl formate?
1H-inden-1-yl formate has a molecular weight of 160.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl formate is sourced from PubChem (CID 54514146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).