7-hydroxy-3-(3-methylanilino)chromen-4-one

C16H13NO3 — CID 71482353

IUPAC7-hydroxy-3-(3-methylanilino)chromen-4-one
SMILESCc1cccc(Nc2coc3cc(O)ccc3c2=O)c1
InChIInChI=1S/C16H13NO3/c1-10-3-2-4-11(7-10)17-14-9-20-15-8-12(18)5-6-13(15)16(14)19/h2-9,17-18H,1H3
InChIKeyCHUUDEQCQIMOSI-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.55
Rot. Bonds2

About 7-hydroxy-3-(3-methylanilino)chromen-4-one

7-hydroxy-3-(3-methylanilino)chromen-4-one (PubChem CID 71482353) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-hydroxy-3-(3-methylanilino)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-methylanilino)chromen-4-one
PubChem CID71482353
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name7-hydroxy-3-(3-methylanilino)chromen-4-one
SMILESCc1cccc(Nc2coc3cc(O)ccc3c2=O)c1
InChIInChI=1S/C16H13NO3/c1-10-3-2-4-11(7-10)17-14-9-20-15-8-12(18)5-6-13(15)16(14)19/h2-9,17-18H,1H3
InChIKeyCHUUDEQCQIMOSI-UHFFFAOYSA-N
XLogP3.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(3-methylanilino)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(3-methylanilino)chromen-4-one (CID 71482353) is 7-hydroxy-3-(3-methylanilino)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(3-methylanilino)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(3-methylanilino)chromen-4-one is Cc1cccc(Nc2coc3cc(O)ccc3c2=O)c1.
What is the InChIKey of 7-hydroxy-3-(3-methylanilino)chromen-4-one?
The InChIKey is CHUUDEQCQIMOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-3-2-4-11(7-10)17-14-9-20-15-8-12(18)5-6-13(15)16(14)19/h2-9,17-18H,1H3.
What are the key properties of 7-hydroxy-3-(3-methylanilino)chromen-4-one?
7-hydroxy-3-(3-methylanilino)chromen-4-one has a molecular weight of 267.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(3-methylanilino)chromen-4-one is sourced from PubChem (CID 71482353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).