6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

C14H16O2 — CID 150818824

IUPAC6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILESCC(C)=CCc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C14H16O2/c1-10(2)3-4-11-5-6-14-12(9-11)13(15)7-8-16-14/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyKJMGMRNJODJWHY-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.16
Rot. Bonds2

About 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (PubChem CID 150818824) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
PubChem CID150818824
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILESCC(C)=CCc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C14H16O2/c1-10(2)3-4-11-5-6-14-12(9-11)13(15)7-8-16-14/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyKJMGMRNJODJWHY-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-2,3-dihydrochromen-4-one
CID 66595033
N-[(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)methyl]acetamide
CID 10609667
6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
CID 155211404
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
4-(4-oxo-2,3-dihydrochromen-6-yl)but-3-enal
CID 170482549
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
CID 169476137
6-iodo-2,3-dihydrochromen-4-one
CID 3580262
6-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57099381
3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
CID 169482398
6-(1-hydroxy-2-methylprop-2-enoxy)-2,3-dihydrochromen-4-one
CID 163987759
(4-oxo-2,3-dihydrochromen-7-yl) acetate
CID 3498336
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (CID 150818824) is 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is CC(C)=CCc1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
The InChIKey is KJMGMRNJODJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(2)3-4-11-5-6-14-12(9-11)13(15)7-8-16-14/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?
6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one has a molecular weight of 216.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 150818824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).