3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one

C15H16O3 — CID 141086031

IUPAC3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one
SMILESC=C(C)CCc1cccc2cc(OC)c(=O)oc12
InChIInChI=1S/C15H16O3/c1-10(2)7-8-11-5-4-6-12-9-13(17-3)15(16)18-14(11)12/h4-6,9H,1,7-8H2,2-3H3
InChIKeyVEFOVMFNJDOZHW-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.31
Rot. Bonds4

About 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one

3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one (PubChem CID 141086031) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one.

Molecular Properties

Compound Name3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one
PubChem CID141086031
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one
SMILESC=C(C)CCc1cccc2cc(OC)c(=O)oc12
InChIInChI=1S/C15H16O3/c1-10(2)7-8-11-5-4-6-12-9-13(17-3)15(16)18-14(11)12/h4-6,9H,1,7-8H2,2-3H3
InChIKeyVEFOVMFNJDOZHW-UHFFFAOYSA-N
XLogP3.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-8-methoxychromen-2-one
CID 21128834
2-[2,6-bis(3-methylbut-3-enyl)phenoxy]-1,3-bis(3-methylbut-3-enyl)benzene
CID 69442758
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
CID 807442
N'-(3,4-dimethoxybenzoyl)-2-oxo-8-prop-2-enylchromene-3-carbohydrazide
CID 1122732
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
8-methoxy-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]chromen-2-one
CID 1263976
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
8-methoxy-3-phenylchromen-2-one
CID 2195449
6,9-dimethoxyfuro[3,2-g]chromen-7-one
CID 162954725
8-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one chloride
CID 18558477
1-methoxy-4-[2-(3-methylbut-3-enyl)phenyl]sulfanylbenzene
CID 71387554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one?
The IUPAC name of 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one (CID 141086031) is 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one.
What is the SMILES notation for 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one?
The canonical SMILES for 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one is C=C(C)CCc1cccc2cc(OC)c(=O)oc12.
What is the InChIKey of 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one?
The InChIKey is VEFOVMFNJDOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(2)7-8-11-5-4-6-12-9-13(17-3)15(16)18-14(11)12/h4-6,9H,1,7-8H2,2-3H3.
What are the key properties of 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one?
3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one has a molecular weight of 244.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-(3-methylbut-3-enyl)chromen-2-one is sourced from PubChem (CID 141086031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).