2,3-dimethyl-7-pentoxychromen-4-one

C16H20O3 — CID 86159504

IUPAC2,3-dimethyl-7-pentoxychromen-4-one
SMILESCCCCCOc1ccc2c(=O)c(C)c(C)oc2c1
InChIInChI=1S/C16H20O3/c1-4-5-6-9-18-13-7-8-14-15(10-13)19-12(3)11(2)16(14)17/h7-8,10H,4-6,9H2,1-3H3
InChIKeyRSJYPDXCFGPQIL-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.98
Rot. Bonds5

About 2,3-dimethyl-7-pentoxychromen-4-one

2,3-dimethyl-7-pentoxychromen-4-one (PubChem CID 86159504) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2,3-dimethyl-7-pentoxychromen-4-one.

Molecular Properties

Compound Name2,3-dimethyl-7-pentoxychromen-4-one
PubChem CID86159504
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2,3-dimethyl-7-pentoxychromen-4-one
SMILESCCCCCOc1ccc2c(=O)c(C)c(C)oc2c1
InChIInChI=1S/C16H20O3/c1-4-5-6-9-18-13-7-8-14-15(10-13)19-12(3)11(2)16(14)17/h7-8,10H,4-6,9H2,1-3H3
InChIKeyRSJYPDXCFGPQIL-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2-methyl-7-pentoxychromen-4-one
CID 86159473
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
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
acetaldehyde;2,3-dimethyl-5-octoxy-1-benzofuran
CID 161038813
4-amino-7-butoxychromen-2-one
CID 175494716
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
6-decoxy-4-methylchromen-2-one
CID 3818631
3-(4-hydroxy-3-octoxy-2-oxochromen-7-yl)oxypropyl acetate
CID 54694186
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
(7-butoxy-4-hydroxy-2-oxochromen-3-yl) acetate
CID 54703290
12-(3,4-dimethyl-2-oxochromen-7-yl)oxydodecyl propanoate
CID 164597251

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-pentoxychromen-4-one?
The IUPAC name of 2,3-dimethyl-7-pentoxychromen-4-one (CID 86159504) is 2,3-dimethyl-7-pentoxychromen-4-one.
What is the SMILES notation for 2,3-dimethyl-7-pentoxychromen-4-one?
The canonical SMILES for 2,3-dimethyl-7-pentoxychromen-4-one is CCCCCOc1ccc2c(=O)c(C)c(C)oc2c1.
What is the InChIKey of 2,3-dimethyl-7-pentoxychromen-4-one?
The InChIKey is RSJYPDXCFGPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-5-6-9-18-13-7-8-14-15(10-13)19-12(3)11(2)16(14)17/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-7-pentoxychromen-4-one?
2,3-dimethyl-7-pentoxychromen-4-one has a molecular weight of 260.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-pentoxychromen-4-one is sourced from PubChem (CID 86159504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).