2-(4-aminophenyl)-6-propoxychromen-4-one

C18H17NO3 — CID 82046490

IUPAC2-(4-aminophenyl)-6-propoxychromen-4-one
SMILESCCCOc1ccc2oc(-c3ccc(N)cc3)cc(=O)c2c1
InChIInChI=1S/C18H17NO3/c1-2-9-21-14-7-8-17-15(10-14)16(20)11-18(22-17)12-3-5-13(19)6-4-12/h3-8,10-11H,2,9,19H2,1H3
InChIKeyAVYLACSZQXYVKN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-aminophenyl)-6-propoxychromen-4-one

2-(4-aminophenyl)-6-propoxychromen-4-one (PubChem CID 82046490) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-propoxychromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-propoxychromen-4-one
PubChem CID82046490
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(4-aminophenyl)-6-propoxychromen-4-one
SMILESCCCOc1ccc2oc(-c3ccc(N)cc3)cc(=O)c2c1
InChIInChI=1S/C18H17NO3/c1-2-9-21-14-7-8-17-15(10-14)16(20)11-18(22-17)12-3-5-13(19)6-4-12/h3-8,10-11H,2,9,19H2,1H3
InChIKeyAVYLACSZQXYVKN-UHFFFAOYSA-N
XLogP3.83
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
CID 44590881
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one
CID 11671100

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-propoxychromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-propoxychromen-4-one (CID 82046490) is 2-(4-aminophenyl)-6-propoxychromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-propoxychromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-propoxychromen-4-one is CCCOc1ccc2oc(-c3ccc(N)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-aminophenyl)-6-propoxychromen-4-one?
The InChIKey is AVYLACSZQXYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-9-21-14-7-8-17-15(10-14)16(20)11-18(22-17)12-3-5-13(19)6-4-12/h3-8,10-11H,2,9,19H2,1H3.
What are the key properties of 2-(4-aminophenyl)-6-propoxychromen-4-one?
2-(4-aminophenyl)-6-propoxychromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-propoxychromen-4-one is sourced from PubChem (CID 82046490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).