4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one

C12H16O2 — CID 90112278

IUPAC4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
SMILESCC(C)C1C=COC2=C1C(=O)CCC2
InChIInChI=1S/C12H16O2/c1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11/h6-9H,3-5H2,1-2H3
InChIKeyLUCYVBLUFJXGCZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.81
Rot. Bonds1

About 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one

4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one (PubChem CID 90112278) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one.

Molecular Properties

Compound Name4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
PubChem CID90112278
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one
SMILESCC(C)C1C=COC2=C1C(=O)CCC2
InChIInChI=1S/C12H16O2/c1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11/h6-9H,3-5H2,1-2H3
InChIKeyLUCYVBLUFJXGCZ-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
(5R,8S)-2-methoxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 16111642
5-Oxo-5,6,7,8-tetrahydro-4h-chromene
CID 14993949
2-Isopropyl-3-methoxy-cyclohex-2-enone
CID 22260134
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
1,4,4A,5,8,8A-Hexahydro-3-methoxy-8A-methyl-1-naphthalenone
CID 288192
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Cyclohexen-1-one, 3-ethoxy-6-propyl-
CID 10352328
3-Methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 139746560
2-Cyclohexen-1-one, 3-(2-methylpropoxy)-6-(2-propenyl)-
CID 11252779
(4aR,8aS)-3-methoxy-8a-methyl-4,4a,5,8-tetrahydronaphthalen-1-one
CID 92140316

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
The IUPAC name of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one (CID 90112278) is 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one.
What is the SMILES notation for 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
The canonical SMILES for 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one is CC(C)C1C=COC2=C1C(=O)CCC2.
What is the InChIKey of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
The InChIKey is LUCYVBLUFJXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)9-6-7-14-11-5-3-4-10(13)12(9)11/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one?
4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one has a molecular weight of 192.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,6,7,8-tetrahydrochromen-5-one is sourced from PubChem (CID 90112278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).