6-propoxy-1H-indene

C12H14O — CID 19751756

IUPAC6-propoxy-1H-indene
SMILESCCCOc1ccc2c(c1)CC=C2
InChIInChI=1S/C12H14O/c1-2-8-13-12-7-6-10-4-3-5-11(10)9-12/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyBGCIZEYICHFLEI-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.04
Rot. Bonds3

About 6-propoxy-1H-indene

6-propoxy-1H-indene (PubChem CID 19751756) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-propoxy-1H-indene.

Molecular Properties

Compound Name6-propoxy-1H-indene
PubChem CID19751756
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-propoxy-1H-indene
SMILESCCCOc1ccc2c(c1)CC=C2
InChIInChI=1S/C12H14O/c1-2-8-13-12-7-6-10-4-3-5-11(10)9-12/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyBGCIZEYICHFLEI-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[2-(3H-indene-5-carbonyloxy)ethoxy]-2-iodobenzenesulfonic acid
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CID 138040626
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-1H-indene?
The IUPAC name of 6-propoxy-1H-indene (CID 19751756) is 6-propoxy-1H-indene.
What is the SMILES notation for 6-propoxy-1H-indene?
The canonical SMILES for 6-propoxy-1H-indene is CCCOc1ccc2c(c1)CC=C2.
What is the InChIKey of 6-propoxy-1H-indene?
The InChIKey is BGCIZEYICHFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-8-13-12-7-6-10-4-3-5-11(10)9-12/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 6-propoxy-1H-indene?
6-propoxy-1H-indene has a molecular weight of 174.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-1H-indene is sourced from PubChem (CID 19751756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).