4-deuterio-3-phenylchromen-2-one

C15H10O2 — CID 10799109

IUPAC4-deuterio-3-phenylchromen-2-one
SMILES[2H]c1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H/i10D
InChIKeyHWDSXZLYIKESML-MMIHMFRQSA-N
MW223.25 g/mol
LogP3.46
Rot. Bonds1

About 4-deuterio-3-phenylchromen-2-one

4-deuterio-3-phenylchromen-2-one (PubChem CID 10799109) has the molecular formula C15H10O2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-deuterio-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-deuterio-3-phenylchromen-2-one
PubChem CID10799109
Molecular FormulaC15H10O2
Molecular Weight223.25 g/mol
Exact Mass223.07
IUPAC Name4-deuterio-3-phenylchromen-2-one
SMILES[2H]c1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H/i10D
InChIKeyHWDSXZLYIKESML-MMIHMFRQSA-N
XLogP3.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylchromen-2-one;hydrochloride
CID 141206894
3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
CID 14320030
4-(2-oxochromen-3-yl)benzoate
CID 4249737
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
CID 153454846
[4-(2-oxochromen-3-yl)phenyl]arsonic acid
CID 154199861
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3,5,6-triphenylchromen-2-one
CID 71411258
(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]propanoic acid
CID 7095122
3-(hydroxymethyl)chromen-2-one
CID 22921481
2-oxochromene-3-carboxylic acid
CID 161011590

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-3-phenylchromen-2-one?
The IUPAC name of 4-deuterio-3-phenylchromen-2-one (CID 10799109) is 4-deuterio-3-phenylchromen-2-one.
What is the SMILES notation for 4-deuterio-3-phenylchromen-2-one?
The canonical SMILES for 4-deuterio-3-phenylchromen-2-one is [2H]c1c(-c2ccccc2)c(=O)oc2ccccc12.
What is the InChIKey of 4-deuterio-3-phenylchromen-2-one?
The InChIKey is HWDSXZLYIKESML-MMIHMFRQSA-N. The full InChI is InChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H/i10D.
What are the key properties of 4-deuterio-3-phenylchromen-2-one?
4-deuterio-3-phenylchromen-2-one has a molecular weight of 223.25 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-3-phenylchromen-2-one is sourced from PubChem (CID 10799109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).