2-(4-nonoxyphenyl)chromen-4-one

C24H28O3 — CID 10570795

IUPAC2-(4-nonoxyphenyl)chromen-4-one
SMILESCCCCCCCCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C24H28O3/c1-2-3-4-5-6-7-10-17-26-20-15-13-19(14-16-20)24-18-22(25)21-11-8-9-12-23(21)27-24/h8-9,11-16,18H,2-7,10,17H2,1H3
InChIKeyAXAMUTCOMYUFQP-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.59
Rot. Bonds10

About 2-(4-nonoxyphenyl)chromen-4-one

2-(4-nonoxyphenyl)chromen-4-one (PubChem CID 10570795) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(4-nonoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-nonoxyphenyl)chromen-4-one
PubChem CID10570795
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name2-(4-nonoxyphenyl)chromen-4-one
SMILESCCCCCCCCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C24H28O3/c1-2-3-4-5-6-7-10-17-26-20-15-13-19(14-16-20)24-18-22(25)21-11-8-9-12-23(21)27-24/h8-9,11-16,18H,2-7,10,17H2,1H3
InChIKeyAXAMUTCOMYUFQP-UHFFFAOYSA-N
XLogP6.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.59
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

2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-(4-butylphenyl)chromen-4-one
CID 154714273
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
N,N-bis[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]methanesulfonamide
CID 54578900
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
2-[2-(dimethylamino)ethoxy]ethanol;2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]chromen-4-one;methane
CID 161225151
2-phenylchromen-4-one
CID 90124083
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
tert-butyl N,N-bis[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]carbamate
CID 54578221
copper;2-phenylchromen-4-one
CID 175169427
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonoxyphenyl)chromen-4-one?
The IUPAC name of 2-(4-nonoxyphenyl)chromen-4-one (CID 10570795) is 2-(4-nonoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-nonoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(4-nonoxyphenyl)chromen-4-one is CCCCCCCCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-nonoxyphenyl)chromen-4-one?
The InChIKey is AXAMUTCOMYUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-2-3-4-5-6-7-10-17-26-20-15-13-19(14-16-20)24-18-22(25)21-11-8-9-12-23(21)27-24/h8-9,11-16,18H,2-7,10,17H2,1H3.
What are the key properties of 2-(4-nonoxyphenyl)chromen-4-one?
2-(4-nonoxyphenyl)chromen-4-one has a molecular weight of 364.49 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonoxyphenyl)chromen-4-one is sourced from PubChem (CID 10570795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).