2-(7-hydroxypentadecyl)chromen-4-one

C24H36O3 — CID 175037169

IUPAC2-(7-hydroxypentadecyl)chromen-4-one
SMILESCCCCCCCCC(O)CCCCCCc1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H36O3/c1-2-3-4-5-6-9-14-20(25)15-10-7-8-11-16-21-19-23(26)22-17-12-13-18-24(22)27-21/h12-13,17-20,25H,2-11,14-16H2,1H3
InChIKeyNAKZSXUTAWGAGJ-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.40
Rot. Bonds14

About 2-(7-hydroxypentadecyl)chromen-4-one

2-(7-hydroxypentadecyl)chromen-4-one (PubChem CID 175037169) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-(7-hydroxypentadecyl)chromen-4-one.

Molecular Properties

Compound Name2-(7-hydroxypentadecyl)chromen-4-one
PubChem CID175037169
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name2-(7-hydroxypentadecyl)chromen-4-one
SMILESCCCCCCCCC(O)CCCCCCc1cc(=O)c2ccccc2o1
InChIInChI=1S/C24H36O3/c1-2-3-4-5-6-9-14-20(25)15-10-7-8-11-16-21-19-23(26)22-17-12-13-18-24(22)27-21/h12-13,17-20,25H,2-11,14-16H2,1H3
InChIKeyNAKZSXUTAWGAGJ-UHFFFAOYSA-N
XLogP6.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptylchromene-4-thione
CID 154713564
2-(3-chloropropyl)chromen-4-one
CID 11127898
2-decyl-1-benzofuran
CID 15365265
1-dibenzofuran-2-ylheptan-1-ol
CID 114753371
2-(hydroxymethyl)chromen-4-one
CID 12536095
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
1-dibenzofuran-2-ylhexan-1-ol
CID 63426377
pentyl 4-oxochromene-2-carboxylate
CID 141077364
2-hexadecylbenzo[f][1]benzofuran-4,9-dione
CID 134542826
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
2-(4-butylphenyl)chromen-4-one
CID 154714273
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxypentadecyl)chromen-4-one?
The IUPAC name of 2-(7-hydroxypentadecyl)chromen-4-one (CID 175037169) is 2-(7-hydroxypentadecyl)chromen-4-one.
What is the SMILES notation for 2-(7-hydroxypentadecyl)chromen-4-one?
The canonical SMILES for 2-(7-hydroxypentadecyl)chromen-4-one is CCCCCCCCC(O)CCCCCCc1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-(7-hydroxypentadecyl)chromen-4-one?
The InChIKey is NAKZSXUTAWGAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3/c1-2-3-4-5-6-9-14-20(25)15-10-7-8-11-16-21-19-23(26)22-17-12-13-18-24(22)27-21/h12-13,17-20,25H,2-11,14-16H2,1H3.
What are the key properties of 2-(7-hydroxypentadecyl)chromen-4-one?
2-(7-hydroxypentadecyl)chromen-4-one has a molecular weight of 372.55 g/mol, XLogP of 6.40, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxypentadecyl)chromen-4-one is sourced from PubChem (CID 175037169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).