7-[(3,5-diaminophenyl)methoxy]chromen-2-one

C16H14N2O3 — CID 89404478

IUPAC7-[(3,5-diaminophenyl)methoxy]chromen-2-one
SMILESNc1cc(N)cc(COc2ccc3ccc(=O)oc3c2)c1
InChIInChI=1S/C16H14N2O3/c17-12-5-10(6-13(18)7-12)9-20-14-3-1-11-2-4-16(19)21-15(11)8-14/h1-8H,9,17-18H2
InChIKeyUNFVDNYUFBBDST-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.54
Rot. Bonds3

About 7-[(3,5-diaminophenyl)methoxy]chromen-2-one

7-[(3,5-diaminophenyl)methoxy]chromen-2-one (PubChem CID 89404478) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-[(3,5-diaminophenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(3,5-diaminophenyl)methoxy]chromen-2-one
PubChem CID89404478
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name7-[(3,5-diaminophenyl)methoxy]chromen-2-one
SMILESNc1cc(N)cc(COc2ccc3ccc(=O)oc3c2)c1
InChIInChI=1S/C16H14N2O3/c17-12-5-10(6-13(18)7-12)9-20-14-3-1-11-2-4-16(19)21-15(11)8-14/h1-8H,9,17-18H2
InChIKeyUNFVDNYUFBBDST-UHFFFAOYSA-N
XLogP2.54
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139
7-(2-aminoethoxy)chromen-2-one
CID 82506816
6-phenylmethoxychromen-2-one
CID 59816113
7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
CID 122180470
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
(2-oxochromen-7-yl) hypoiodite
CID 138751183
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-diaminophenyl)methoxy]chromen-2-one?
The IUPAC name of 7-[(3,5-diaminophenyl)methoxy]chromen-2-one (CID 89404478) is 7-[(3,5-diaminophenyl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(3,5-diaminophenyl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(3,5-diaminophenyl)methoxy]chromen-2-one is Nc1cc(N)cc(COc2ccc3ccc(=O)oc3c2)c1.
What is the InChIKey of 7-[(3,5-diaminophenyl)methoxy]chromen-2-one?
The InChIKey is UNFVDNYUFBBDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-12-5-10(6-13(18)7-12)9-20-14-3-1-11-2-4-16(19)21-15(11)8-14/h1-8H,9,17-18H2.
What are the key properties of 7-[(3,5-diaminophenyl)methoxy]chromen-2-one?
7-[(3,5-diaminophenyl)methoxy]chromen-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-diaminophenyl)methoxy]chromen-2-one is sourced from PubChem (CID 89404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).