2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone

C19H26O2 — CID 116748406

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C19H26O2/c1-2-21-19(11-4-3-5-12-19)18(20)14-15-9-10-16-7-6-8-17(16)13-15/h9-10,13H,2-8,11-12,14H2,1H3
InChIKeyCUERTYIJHJAPKC-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.03
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone (PubChem CID 116748406) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
PubChem CID116748406
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C19H26O2/c1-2-21-19(11-4-3-5-12-19)18(20)14-15-9-10-16-7-6-8-17(16)13-15/h9-10,13H,2-8,11-12,14H2,1H3
InChIKeyCUERTYIJHJAPKC-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750562
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
CID 116750764
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
CID 116747836

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone (CID 116748406) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone is CCOC1(C(=O)Cc2ccc3c(c2)CCC3)CCCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone?
The InChIKey is CUERTYIJHJAPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-21-19(11-4-3-5-12-19)18(20)14-15-9-10-16-7-6-8-17(16)13-15/h9-10,13H,2-8,11-12,14H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone has a molecular weight of 286.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone is sourced from PubChem (CID 116748406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).