ethane;6-propan-2-yl-3,4-dihydrochromen-2-one

C14H20O2 — CID 154661810

IUPACethane;6-propan-2-yl-3,4-dihydrochromen-2-one
SMILESCC.CC(C)c1ccc2c(c1)CCC(=O)O2
InChIInChI=1S/C12H14O2.C2H6/c1-8(2)9-3-5-11-10(7-9)4-6-12(13)14-11;1-2/h3,5,7-8H,4,6H2,1-2H3;1-2H3
InChIKeyBUELEDNLRSCJAF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.69
Rot. Bonds1

About ethane;6-propan-2-yl-3,4-dihydrochromen-2-one

ethane;6-propan-2-yl-3,4-dihydrochromen-2-one (PubChem CID 154661810) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethane;6-propan-2-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Nameethane;6-propan-2-yl-3,4-dihydrochromen-2-one
PubChem CID154661810
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethane;6-propan-2-yl-3,4-dihydrochromen-2-one
SMILESCC.CC(C)c1ccc2c(c1)CCC(=O)O2
InChIInChI=1S/C12H14O2.C2H6/c1-8(2)9-3-5-11-10(7-9)4-6-12(13)14-11;1-2/h3,5,7-8H,4,6H2,1-2H3;1-2H3
InChIKeyBUELEDNLRSCJAF-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one
CID 23405122
6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
CID 154096528
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
CID 612770
6-(2-trimethylsilylethynyl)-3,4-dihydrochromen-2-one
CID 14614717
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
6-propan-2-yl-4H-chromen-3-one
CID 82603351
benzene;(2-oxo-3,4-dihydrochromen-6-yl) acetate
CID 142101371
2-hydroxy-6-propan-2-yl-3,4-dihydro-1,2-benzoxaborinine
CID 170670927
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
CID 59613675
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CID 115015562

Frequently Asked Questions

What is the IUPAC name of ethane;6-propan-2-yl-3,4-dihydrochromen-2-one?
The IUPAC name of ethane;6-propan-2-yl-3,4-dihydrochromen-2-one (CID 154661810) is ethane;6-propan-2-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for ethane;6-propan-2-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for ethane;6-propan-2-yl-3,4-dihydrochromen-2-one is CC.CC(C)c1ccc2c(c1)CCC(=O)O2.
What is the InChIKey of ethane;6-propan-2-yl-3,4-dihydrochromen-2-one?
The InChIKey is BUELEDNLRSCJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C2H6/c1-8(2)9-3-5-11-10(7-9)4-6-12(13)14-11;1-2/h3,5,7-8H,4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;6-propan-2-yl-3,4-dihydrochromen-2-one?
ethane;6-propan-2-yl-3,4-dihydrochromen-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propan-2-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 154661810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).