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

C19H26O2 — CID 116750562

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)Cc2ccc3c(c2)CCC3)CCCCCC1
InChIInChI=1S/C19H26O2/c1-21-19(11-4-2-3-5-12-19)18(20)14-15-9-10-16-7-6-8-17(16)13-15/h9-10,13H,2-8,11-12,14H2,1H3
InChIKeyJIKVJCNALAKGNI-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.03
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone (PubChem CID 116750562) 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-methoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
PubChem CID116750562
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)Cc2ccc3c(c2)CCC3)CCCCCC1
InChIInChI=1S/C19H26O2/c1-21-19(11-4-2-3-5-12-19)18(20)14-15-9-10-16-7-6-8-17(16)13-15/h9-10,13H,2-8,11-12,14H2,1H3
InChIKeyJIKVJCNALAKGNI-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-ethoxycyclohexyl)ethanone
CID 116748406
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone (CID 116750562) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone is COC1(C(=O)Cc2ccc3c(c2)CCC3)CCCCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone?
The InChIKey is JIKVJCNALAKGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-21-19(11-4-2-3-5-12-19)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-methoxycycloheptyl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone has a molecular weight of 286.41 g/mol, XLogP of 4.03, 4 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-methoxycycloheptyl)ethanone is sourced from PubChem (CID 116750562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).