2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone

C18H19NO2 — CID 116611963

IUPAC2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc3c(c2)NCC3)cc1
InChIInChI=1S/C18H19NO2/c1-2-11-21-16-7-5-14(6-8-16)18(20)15-4-3-13-9-10-19-17(13)12-15/h3-8,12,19H,2,9-11H2,1H3
InChIKeyXGIOXHIFVRUQLJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds5

About 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone

2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone (PubChem CID 116611963) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
PubChem CID116611963
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc3c(c2)NCC3)cc1
InChIInChI=1S/C18H19NO2/c1-2-11-21-16-7-5-14(6-8-16)18(20)15-4-3-13-9-10-19-17(13)12-15/h3-8,12,19H,2,9-11H2,1H3
InChIKeyXGIOXHIFVRUQLJ-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
CID 116611885
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
5-(4-propoxyphenyl)-2,3-dihydro-1H-indole
CID 62800943
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
CID 116611875
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propoxyphenyl)methanone
CID 114971100
1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
CID 103489060
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434951

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone (CID 116611963) is 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc3c(c2)NCC3)cc1.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone?
The InChIKey is XGIOXHIFVRUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-11-21-16-7-5-14(6-8-16)18(20)15-4-3-13-9-10-19-17(13)12-15/h3-8,12,19H,2,9-11H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone?
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116611963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).