7-ethyl-3-propan-2-ylchromen-2-one

C14H16O2 — CID 176948949

IUPAC7-ethyl-3-propan-2-ylchromen-2-one
SMILESCCc1ccc2cc(C(C)C)c(=O)oc2c1
InChIInChI=1S/C14H16O2/c1-4-10-5-6-11-8-12(9(2)3)14(15)16-13(11)7-10/h5-9H,4H2,1-3H3
InChIKeyVXPMPEZPLKMOFM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.48
Rot. Bonds2

About 7-ethyl-3-propan-2-ylchromen-2-one

7-ethyl-3-propan-2-ylchromen-2-one (PubChem CID 176948949) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 7-ethyl-3-propan-2-ylchromen-2-one.

Molecular Properties

Compound Name7-ethyl-3-propan-2-ylchromen-2-one
PubChem CID176948949
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name7-ethyl-3-propan-2-ylchromen-2-one
SMILESCCc1ccc2cc(C(C)C)c(=O)oc2c1
InChIInChI=1S/C14H16O2/c1-4-10-5-6-11-8-12(9(2)3)14(15)16-13(11)7-10/h5-9H,4H2,1-3H3
InChIKeyVXPMPEZPLKMOFM-UHFFFAOYSA-N
XLogP3.48
TPSA30.21 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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoethyl)-7-ethylchromen-2-one
CID 91523743
7-ethyl-4-methyl-3-(3-methylbutan-2-yl)chromen-2-one
CID 91500291
3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
CID 126606459
7-amino-3-(1-hydroxyethyl)chromen-2-one
CID 170712344
ethane;7-ethyl-3-(4-ethylphenyl)chromen-2-one;2-ethyl-5-(4-ethylphenyl)pyrimidine
CID 161002487
2-(6-ethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 126619868
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
3-heptadecan-4-yl-7-hydroxychromen-2-one
CID 87130411
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
7-tert-butyl-3-ethylchromen-2-one
CID 89010993
7-[3-hydroxy-5-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]pentyl]-3-(4-pentylphenyl)chromen-2-one
CID 153454826

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-propan-2-ylchromen-2-one?
The IUPAC name of 7-ethyl-3-propan-2-ylchromen-2-one (CID 176948949) is 7-ethyl-3-propan-2-ylchromen-2-one.
What is the SMILES notation for 7-ethyl-3-propan-2-ylchromen-2-one?
The canonical SMILES for 7-ethyl-3-propan-2-ylchromen-2-one is CCc1ccc2cc(C(C)C)c(=O)oc2c1.
What is the InChIKey of 7-ethyl-3-propan-2-ylchromen-2-one?
The InChIKey is VXPMPEZPLKMOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-4-10-5-6-11-8-12(9(2)3)14(15)16-13(11)7-10/h5-9H,4H2,1-3H3.
What are the key properties of 7-ethyl-3-propan-2-ylchromen-2-one?
7-ethyl-3-propan-2-ylchromen-2-one has a molecular weight of 216.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-propan-2-ylchromen-2-one is sourced from PubChem (CID 176948949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).