(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one

C12H12O2 — CID 177402596

IUPAC(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
SMILESC=CC[C@H]1COc2ccccc2C1=O
InChIInChI=1S/C12H12O2/c1-2-5-9-8-14-11-7-4-3-6-10(11)12(9)13/h2-4,6-7,9H,1,5,8H2/t9-/m0/s1
InChIKeyCONFDGKTIFQCNB-VIFPVBQESA-N
MW188.23 g/mol
LogP2.45
Rot. Bonds2

About (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one

(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one (PubChem CID 177402596) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
PubChem CID177402596
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
SMILESC=CC[C@H]1COc2ccccc2C1=O
InChIInChI=1S/C12H12O2/c1-2-5-9-8-14-11-7-4-3-6-10(11)12(9)13/h2-4,6-7,9H,1,5,8H2/t9-/m0/s1
InChIKeyCONFDGKTIFQCNB-VIFPVBQESA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-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

3-but-3-enyl-2,3-dihydrochromen-4-one
CID 10536113
dimethyl-[[(3S)-4-oxo-2,3-dihydrochromen-3-yl]methyl]azanium
CID 7210424
3-(3-oxobutyl)-2,3-dihydrochromen-4-one
CID 23465810
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
(3S)-3-[(2-phenylethylamino)methyl]-2,3-dihydrochromen-4-one
CID 97355769
3-(1,3-dihydroisoindol-2-yloxymethyl)-2,3-dihydrochromen-4-one
CID 175746441
S-ethyl 2-(4-oxo-2,3-dihydrochromen-3-yl)ethanethioate
CID 135006550
(3S)-3-(butylsulfonylmethyl)-2,3-dihydrochromen-4-one
CID 164665785
3-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57186431
3-cyclopropyl-2,3-dihydrochromen-4-one
CID 69056913
3-[(4-methoxyanilino)methyl]-2,3-dihydrochromen-4-one
CID 56693784
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157

Frequently Asked Questions

What is the IUPAC name of (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one?
The IUPAC name of (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one (CID 177402596) is (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one is C=CC[C@H]1COc2ccccc2C1=O.
What is the InChIKey of (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one?
The InChIKey is CONFDGKTIFQCNB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12O2/c1-2-5-9-8-14-11-7-4-3-6-10(11)12(9)13/h2-4,6-7,9H,1,5,8H2/t9-/m0/s1.
What are the key properties of (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one?
(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 177402596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).