6-ethyl-3-methylidenechromen-4-one

C12H12O2 — CID 82277870

IUPAC6-ethyl-3-methylidenechromen-4-one
SMILESC=C1COc2ccc(CC)cc2C1=O
InChIInChI=1S/C12H12O2/c1-3-9-4-5-11-10(6-9)12(13)8(2)7-14-11/h4-6H,2-3,7H2,1H3
InChIKeyPTTRLYSCERQZIB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.38
Rot. Bonds1

About 6-ethyl-3-methylidenechromen-4-one

6-ethyl-3-methylidenechromen-4-one (PubChem CID 82277870) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-ethyl-3-methylidenechromen-4-one.

Molecular Properties

Compound Name6-ethyl-3-methylidenechromen-4-one
PubChem CID82277870
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name6-ethyl-3-methylidenechromen-4-one
SMILESC=C1COc2ccc(CC)cc2C1=O
InChIInChI=1S/C12H12O2/c1-3-9-4-5-11-10(6-9)12(13)8(2)7-14-11/h4-6H,2-3,7H2,1H3
InChIKeyPTTRLYSCERQZIB-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(1Z)-1-(5-ethyl-1-benzofuran-3-ylidene)propan-2-one
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2,6-diethylanthracene-9,10-dione
CID 130464580
6-ethyl-3-methyl-2H-chromene
CID 143482553
2-(6-hexyl-4-oxochromen-3-ylidene)acetic acid
CID 139756017
5-(3-methylbutyl)-1-benzofuran-3-one
CID 158050839
5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one
CID 139329778
N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide
CID 10637730
(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one
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5-benzyl-1-benzofuran-3-one
CID 62272990

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methylidenechromen-4-one?
The IUPAC name of 6-ethyl-3-methylidenechromen-4-one (CID 82277870) is 6-ethyl-3-methylidenechromen-4-one.
What is the SMILES notation for 6-ethyl-3-methylidenechromen-4-one?
The canonical SMILES for 6-ethyl-3-methylidenechromen-4-one is C=C1COc2ccc(CC)cc2C1=O.
What is the InChIKey of 6-ethyl-3-methylidenechromen-4-one?
The InChIKey is PTTRLYSCERQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-9-4-5-11-10(6-9)12(13)8(2)7-14-11/h4-6H,2-3,7H2,1H3.
What are the key properties of 6-ethyl-3-methylidenechromen-4-one?
6-ethyl-3-methylidenechromen-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methylidenechromen-4-one is sourced from PubChem (CID 82277870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).