1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one

C17H22O2 — CID 63953931

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H22O2/c18-17(10-9-16-6-1-2-11-19-16)15-8-7-13-4-3-5-14(13)12-15/h7-8,12,16H,1-6,9-11H2
InChIKeyRXLPCQCBPCISQU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one

1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one (PubChem CID 63953931) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
PubChem CID63953931
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H22O2/c18-17(10-9-16-6-1-2-11-19-16)15-8-7-13-4-3-5-14(13)12-15/h7-8,12,16H,1-6,9-11H2
InChIKeyRXLPCQCBPCISQU-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one
CID 63951120
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
CID 63952520
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one (CID 63953931) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one is O=C(CCC1CCCCO1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one?
The InChIKey is RXLPCQCBPCISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-17(10-9-16-6-1-2-11-19-16)15-8-7-13-4-3-5-14(13)12-15/h7-8,12,16H,1-6,9-11H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one has a molecular weight of 258.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 63953931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).