7-decylchromen-4-one

C19H26O2 — CID 143676648

IUPAC7-decylchromen-4-one
SMILESCCCCCCCCCCc1ccc2c(=O)ccoc2c1
InChIInChI=1S/C19H26O2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(20)13-14-21-19(17)15-16/h11-15H,2-10H2,1H3
InChIKeyCUWZNRDMPRIJAI-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.48
Rot. Bonds9

About 7-decylchromen-4-one

7-decylchromen-4-one (PubChem CID 143676648) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-decylchromen-4-one.

Molecular Properties

Compound Name7-decylchromen-4-one
PubChem CID143676648
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name7-decylchromen-4-one
SMILESCCCCCCCCCCc1ccc2c(=O)ccoc2c1
InChIInChI=1S/C19H26O2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(20)13-14-21-19(17)15-16/h11-15H,2-10H2,1H3
InChIKeyCUWZNRDMPRIJAI-UHFFFAOYSA-N
XLogP5.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methoxychromen-4-one;nonane
CID 175037162
17-tetradecyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
CID 90260121
17-nonyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
CID 90260100
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
1,3-di(tetradecyl)benzene
CID 91053224
9,10-dibromo-2,6-didecylanthracene
CID 141357715
4-hexyl-1-benzofuran
CID 90920870
7-bromochromen-4-one
CID 18686752
1-butyl-4-nonylbenzene
CID 59545302
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
17-butyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
CID 89117036
7-hexyl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410684

Frequently Asked Questions

What is the IUPAC name of 7-decylchromen-4-one?
The IUPAC name of 7-decylchromen-4-one (CID 143676648) is 7-decylchromen-4-one.
What is the SMILES notation for 7-decylchromen-4-one?
The canonical SMILES for 7-decylchromen-4-one is CCCCCCCCCCc1ccc2c(=O)ccoc2c1.
What is the InChIKey of 7-decylchromen-4-one?
The InChIKey is CUWZNRDMPRIJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(20)13-14-21-19(17)15-16/h11-15H,2-10H2,1H3.
What are the key properties of 7-decylchromen-4-one?
7-decylchromen-4-one has a molecular weight of 286.42 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-decylchromen-4-one is sourced from PubChem (CID 143676648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).