6-phenylmethoxychromen-2-one

C16H12O3 — CID 59816113

IUPAC6-phenylmethoxychromen-2-one
SMILESO=c1ccc2cc(OCc3ccccc3)ccc2o1
InChIInChI=1S/C16H12O3/c17-16-9-6-13-10-14(7-8-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyPIGPQOWBJPLRTP-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.37
Rot. Bonds3

About 6-phenylmethoxychromen-2-one

6-phenylmethoxychromen-2-one (PubChem CID 59816113) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name6-phenylmethoxychromen-2-one
PubChem CID59816113
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name6-phenylmethoxychromen-2-one
SMILESO=c1ccc2cc(OCc3ccccc3)ccc2o1
InChIInChI=1S/C16H12O3/c17-16-9-6-13-10-14(7-8-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyPIGPQOWBJPLRTP-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-phenacyloxychromen-2-one
CID 127037717
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
CID 122180470
6-(2-hydroxyethoxy)chromen-2-one
CID 89388659
7-[(3,5-diaminophenyl)methoxy]chromen-2-one
CID 89404478
6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
CID 127037718
6-(2-oxopropoxy)chromen-2-one
CID 58420964
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
6-(2-oxobutoxy)chromen-2-one
CID 90326922

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxychromen-2-one?
The IUPAC name of 6-phenylmethoxychromen-2-one (CID 59816113) is 6-phenylmethoxychromen-2-one.
What is the SMILES notation for 6-phenylmethoxychromen-2-one?
The canonical SMILES for 6-phenylmethoxychromen-2-one is O=c1ccc2cc(OCc3ccccc3)ccc2o1.
What is the InChIKey of 6-phenylmethoxychromen-2-one?
The InChIKey is PIGPQOWBJPLRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-16-9-6-13-10-14(7-8-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 6-phenylmethoxychromen-2-one?
6-phenylmethoxychromen-2-one has a molecular weight of 252.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxychromen-2-one is sourced from PubChem (CID 59816113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).