5-(2-propoxyphenyl)-2,3-dihydro-1H-indole

C17H19NO — CID 104660777

IUPAC5-(2-propoxyphenyl)-2,3-dihydro-1H-indole
SMILESCCCOc1ccccc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C17H19NO/c1-2-11-19-17-6-4-3-5-15(17)13-7-8-16-14(12-13)9-10-18-16/h3-8,12,18H,2,9-11H2,1H3
InChIKeyOJKMWIQILNOFRP-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.11
Rot. Bonds4

About 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole

5-(2-propoxyphenyl)-2,3-dihydro-1H-indole (PubChem CID 104660777) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(2-propoxyphenyl)-2,3-dihydro-1H-indole
PubChem CID104660777
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name5-(2-propoxyphenyl)-2,3-dihydro-1H-indole
SMILESCCCOc1ccccc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C17H19NO/c1-2-11-19-17-6-4-3-5-15(17)13-7-8-16-14(12-13)9-10-18-16/h3-8,12,18H,2,9-11H2,1H3
InChIKeyOJKMWIQILNOFRP-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9999671
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CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
4-[1-(2-Cyclohexylethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10070722
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[3-phenyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10071910
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-{[(2E)-3-phenylprop-2-en-1-yl]oxy}ethyl)-1,2-dihydroquinoline
CID 10342379
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(5-Fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10384345
6-(2-Methoxyphenyl)-2,2-dimethyl-4-{1-[(3-methylbut-2-en-1-yl)oxy]ethyl}-1,2-dihydroquinoline
CID 10474749
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(3-phenylpropoxy)ethyl]-1,2-dihydroquinoline
CID 22566506

Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole (CID 104660777) is 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole is CCCOc1ccccc1-c1ccc2c(c1)CCN2.
What is the InChIKey of 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole?
The InChIKey is OJKMWIQILNOFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-11-19-17-6-4-3-5-15(17)13-7-8-16-14(12-13)9-10-18-16/h3-8,12,18H,2,9-11H2,1H3.
What are the key properties of 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole?
5-(2-propoxyphenyl)-2,3-dihydro-1H-indole has a molecular weight of 253.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 104660777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).