3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one

C16H15NO2 — CID 160784007

IUPAC3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
SMILESCNc1ccc(C2Cc3ccccc3OC2=O)cc1
InChIInChI=1S/C16H15NO2/c1-17-13-8-6-11(7-9-13)14-10-12-4-2-3-5-15(12)19-16(14)18/h2-9,14,17H,10H2,1H3
InChIKeySAYRTAUNMWBUJY-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.97
Rot. Bonds2

About 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one

3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one (PubChem CID 160784007) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
PubChem CID160784007
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
SMILESCNc1ccc(C2Cc3ccccc3OC2=O)cc1
InChIInChI=1S/C16H15NO2/c1-17-13-8-6-11(7-9-13)14-10-12-4-2-3-5-15(12)19-16(14)18/h2-9,14,17H,10H2,1H3
InChIKeySAYRTAUNMWBUJY-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 69198622
3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
3-(nitromethyl)-3,4-dihydrochromen-2-one
CID 101202113
8-bromo-6-methyl-3-phenyl-3,4-dihydrochromen-2-one
CID 46866067
3-[2-[(2-hydroxyphenyl)methylideneamino]-5-methylphenyl]-3,4-dihydrochromen-2-one
CID 136732104
N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide
CID 21141176
4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine
CID 67892811
(3aR,9aS)-2-methyl-9,9a-dihydro-3aH-chromeno[2,3-c]pyrrole-1,3-dione
CID 101393758
[4-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)phenyl]-[4-(4-phenoxazin-10-ylbenzoyl)phenyl]methanone
CID 134602796
4H-1,3-benzoxathiin-2-one
CID 21485852

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one?
The IUPAC name of 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one (CID 160784007) is 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one is CNc1ccc(C2Cc3ccccc3OC2=O)cc1.
What is the InChIKey of 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one?
The InChIKey is SAYRTAUNMWBUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17-13-8-6-11(7-9-13)14-10-12-4-2-3-5-15(12)19-16(14)18/h2-9,14,17H,10H2,1H3.
What are the key properties of 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one?
3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one is sourced from PubChem (CID 160784007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).