1-prop-2-enoxy-1H-indene

C12H12O — CID 166691848

IUPAC1-prop-2-enoxy-1H-indene
SMILESC=CCOC1C=Cc2ccccc21
InChIInChI=1S/C12H12O/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-8,12H,1,9H2
InChIKeyATUQRQVMOIKUIG-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.96
Rot. Bonds3

About 1-prop-2-enoxy-1H-indene

1-prop-2-enoxy-1H-indene (PubChem CID 166691848) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-prop-2-enoxy-1H-indene.

Molecular Properties

Compound Name1-prop-2-enoxy-1H-indene
PubChem CID166691848
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-prop-2-enoxy-1H-indene
SMILESC=CCOC1C=Cc2ccccc21
InChIInChI=1S/C12H12O/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-8,12H,1,9H2
InChIKeyATUQRQVMOIKUIG-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
O-Methylbenzyl acetate
CID 87085
alpha-Methylbenzyl formate
CID 346286
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-1H-indene?
The IUPAC name of 1-prop-2-enoxy-1H-indene (CID 166691848) is 1-prop-2-enoxy-1H-indene.
What is the SMILES notation for 1-prop-2-enoxy-1H-indene?
The canonical SMILES for 1-prop-2-enoxy-1H-indene is C=CCOC1C=Cc2ccccc21.
What is the InChIKey of 1-prop-2-enoxy-1H-indene?
The InChIKey is ATUQRQVMOIKUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-8,12H,1,9H2.
What are the key properties of 1-prop-2-enoxy-1H-indene?
1-prop-2-enoxy-1H-indene has a molecular weight of 172.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-1H-indene is sourced from PubChem (CID 166691848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).