methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate

C24H18O5 — CID 14791371

IUPACmethyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccccc2c1=O
InChIInChI=1S/C24H18O5/c1-27-24(26)21-22(25)19-9-5-6-10-20(19)29-23(21)17-11-13-18(14-12-17)28-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyPVJFVQYTULRGST-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.83
Rot. Bonds5

About methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate

methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate (PubChem CID 14791371) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
PubChem CID14791371
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Namemethyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccccc2c1=O
InChIInChI=1S/C24H18O5/c1-27-24(26)21-22(25)19-9-5-6-10-20(19)29-23(21)17-11-13-18(14-12-17)28-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyPVJFVQYTULRGST-UHFFFAOYSA-N
XLogP4.83
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-O-benzyl 1-O-[4-oxo-2-(4-phenylmethoxyphenyl)chromen-3-yl] 2-propylpropanedioate
CID 67391933
ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
CID 68682648
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
methyl 2-(4-fluorophenyl)-5-phenylmethoxyfuro[2,3-c]pyridine-3-carboxylate
CID 67217578
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 46303341
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 91901557
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate?
The IUPAC name of methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate (CID 14791371) is methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate.
What is the SMILES notation for methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate?
The canonical SMILES for methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate is COC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccccc2c1=O.
What is the InChIKey of methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate?
The InChIKey is PVJFVQYTULRGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5/c1-27-24(26)21-22(25)19-9-5-6-10-20(19)29-23(21)17-11-13-18(14-12-17)28-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate?
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate is sourced from PubChem (CID 14791371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).