6-decoxy-4-methylchromen-2-one

C20H28O3 — CID 3818631

IUPAC6-decoxy-4-methylchromen-2-one
SMILESCCCCCCCCCCOc1ccc2oc(=O)cc(C)c2c1
InChIInChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-13-22-17-11-12-19-18(15-17)16(2)14-20(21)23-19/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyOZUWUAXLTAUBGP-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.62
Rot. Bonds10

About 6-decoxy-4-methylchromen-2-one

6-decoxy-4-methylchromen-2-one (PubChem CID 3818631) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 6-decoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6-decoxy-4-methylchromen-2-one
PubChem CID3818631
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name6-decoxy-4-methylchromen-2-one
SMILESCCCCCCCCCCOc1ccc2oc(=O)cc(C)c2c1
InChIInChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-13-22-17-11-12-19-18(15-17)16(2)14-20(21)23-19/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyOZUWUAXLTAUBGP-UHFFFAOYSA-N
XLogP5.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-4-methylchromen-2-one
CID 91726871
acetaldehyde;2,3-dimethyl-5-octoxy-1-benzofuran
CID 161038813
6-ethyl-4-methyl-7-pentoxychromen-2-one
CID 86046228
4-dodecoxy-6-methylpyran-2-one
CID 122182825
6-decoxy-3-hydroxy-4-methoxychromen-2-one
CID 19929351
6-[3-(diethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 44578881
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
4-amino-7-butoxychromen-2-one
CID 175494716
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
4-methyl-6-nitro-7-pentoxychromen-2-one
CID 19194754
(6-decoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54690561
7,17-dihexoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 102053272

Frequently Asked Questions

What is the IUPAC name of 6-decoxy-4-methylchromen-2-one?
The IUPAC name of 6-decoxy-4-methylchromen-2-one (CID 3818631) is 6-decoxy-4-methylchromen-2-one.
What is the SMILES notation for 6-decoxy-4-methylchromen-2-one?
The canonical SMILES for 6-decoxy-4-methylchromen-2-one is CCCCCCCCCCOc1ccc2oc(=O)cc(C)c2c1.
What is the InChIKey of 6-decoxy-4-methylchromen-2-one?
The InChIKey is OZUWUAXLTAUBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-13-22-17-11-12-19-18(15-17)16(2)14-20(21)23-19/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 6-decoxy-4-methylchromen-2-one?
6-decoxy-4-methylchromen-2-one has a molecular weight of 316.44 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decoxy-4-methylchromen-2-one is sourced from PubChem (CID 3818631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).