phenol;4-(phenoxymethyl)chromen-2-one

C22H18O4 — CID 158794663

IUPACphenol;4-(phenoxymethyl)chromen-2-one
SMILESO=c1cc(COc2ccccc2)c2ccccc2o1.Oc1ccccc1
InChIInChI=1S/C16H12O3.C6H6O/c17-16-10-12(11-18-13-6-2-1-3-7-13)14-8-4-5-9-15(14)19-16;7-6-4-2-1-3-5-6/h1-10H,11H2;1-5,7H
InChIKeyISSIFOKBKDBZBT-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.76
Rot. Bonds3

About phenol;4-(phenoxymethyl)chromen-2-one

phenol;4-(phenoxymethyl)chromen-2-one (PubChem CID 158794663) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is phenol;4-(phenoxymethyl)chromen-2-one.

Molecular Properties

Compound Namephenol;4-(phenoxymethyl)chromen-2-one
PubChem CID158794663
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Namephenol;4-(phenoxymethyl)chromen-2-one
SMILESO=c1cc(COc2ccccc2)c2ccccc2o1.Oc1ccccc1
InChIInChI=1S/C16H12O3.C6H6O/c17-16-10-12(11-18-13-6-2-1-3-7-13)14-8-4-5-9-15(14)19-16;7-6-4-2-1-3-5-6/h1-10H,11H2;1-5,7H
InChIKeyISSIFOKBKDBZBT-UHFFFAOYSA-N
XLogP4.76
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
4-prop-2-enylchromen-2-one
CID 87576645
(2-oxochromen-4-yl)methyl 2-methylbutanoate
CID 170264587
(2-oxochromen-4-yl)methylphosphonic acid
CID 138756323
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 3909133
(2-oxochromen-4-yl) 4-phenylmethoxybenzoate
CID 3794106
4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
CID 17489399
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
methyl 4-[(3-oxobenzo[f]chromen-1-yl)methoxy]benzoate
CID 2495651
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
4-[[4-(2-amino-6-phenylpyrimidin-4-yl)phenoxy]methyl]-6-chlorochromen-2-one
CID 46702559

Frequently Asked Questions

What is the IUPAC name of phenol;4-(phenoxymethyl)chromen-2-one?
The IUPAC name of phenol;4-(phenoxymethyl)chromen-2-one (CID 158794663) is phenol;4-(phenoxymethyl)chromen-2-one.
What is the SMILES notation for phenol;4-(phenoxymethyl)chromen-2-one?
The canonical SMILES for phenol;4-(phenoxymethyl)chromen-2-one is O=c1cc(COc2ccccc2)c2ccccc2o1.Oc1ccccc1.
What is the InChIKey of phenol;4-(phenoxymethyl)chromen-2-one?
The InChIKey is ISSIFOKBKDBZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3.C6H6O/c17-16-10-12(11-18-13-6-2-1-3-7-13)14-8-4-5-9-15(14)19-16;7-6-4-2-1-3-5-6/h1-10H,11H2;1-5,7H.
What are the key properties of phenol;4-(phenoxymethyl)chromen-2-one?
phenol;4-(phenoxymethyl)chromen-2-one has a molecular weight of 346.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;4-(phenoxymethyl)chromen-2-one is sourced from PubChem (CID 158794663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).