6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one

C13H14O2 — CID 170476722

IUPAC6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C=CCCO)cc21
InChIInChI=1S/C13H14O2/c14-8-2-1-3-10-4-5-11-6-7-13(15)12(11)9-10/h1,3-5,9,14H,2,6-8H2
InChIKeyNBUKZDRUIJTUHC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.21
Rot. Bonds3

About 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one

6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one (PubChem CID 170476722) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
PubChem CID170476722
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(C=CCCO)cc21
InChIInChI=1S/C13H14O2/c14-8-2-1-3-10-4-5-11-6-7-13(15)12(11)9-10/h1,3-5,9,14H,2,6-8H2
InChIKeyNBUKZDRUIJTUHC-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
CID 139329781
6-[4-(3-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
CID 151766325
6-[4-(5-ethyl-2-pyridinyl)but-1-enyl]-2,3-dihydroinden-1-one
CID 151176970
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
acetic acid;1-but-3-enyl-3-ethylbenzene;6-[(E)-4-(3-ethylphenyl)but-1-enyl]-2,3-dihydroinden-1-one;palladium
CID 158572483
3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)prop-2-enoic acid
CID 169460890
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
3-oxo-1,2-dihydroindene-5-sulfinic acid
CID 22119038
6-(3-hydroxyprop-1-enyl)-3H-2-benzofuran-1-one
CID 169453460
4-[4-chloro-3-(chloromethyl)phenyl]but-3-en-1-ol
CID 170476378
5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one
CID 169461900
6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
CID 170477313

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one (CID 170476722) is 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one is O=C1CCc2ccc(C=CCCO)cc21.
What is the InChIKey of 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one?
The InChIKey is NBUKZDRUIJTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-8-2-1-3-10-4-5-11-6-7-13(15)12(11)9-10/h1,3-5,9,14H,2,6-8H2.
What are the key properties of 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one?
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 170476722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).