6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene

C12H13ClO — CID 68583970

IUPAC6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene
SMILESC=CCOc1cc(Cl)cc2c1CCC2
InChIInChI=1S/C12H13ClO/c1-2-6-14-12-8-10(13)7-9-4-3-5-11(9)12/h2,7-8H,1,3-6H2
InChIKeyFSHSZHNFHUXXAE-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.39
Rot. Bonds3

About 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene

6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene (PubChem CID 68583970) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene
PubChem CID68583970
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene
SMILESC=CCOc1cc(Cl)cc2c1CCC2
InChIInChI=1S/C12H13ClO/c1-2-6-14-12-8-10(13)7-9-4-3-5-11(9)12/h2,7-8H,1,3-6H2
InChIKeyFSHSZHNFHUXXAE-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene?
The IUPAC name of 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene (CID 68583970) is 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene is C=CCOc1cc(Cl)cc2c1CCC2.
What is the InChIKey of 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene?
The InChIKey is FSHSZHNFHUXXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-2-6-14-12-8-10(13)7-9-4-3-5-11(9)12/h2,7-8H,1,3-6H2.
What are the key properties of 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene?
6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene has a molecular weight of 208.69 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-prop-2-enoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 68583970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).