[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate

C24H20O4 — CID 3231535

IUPAC[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate
SMILESCOc1ccc(C(OC(=O)C2=Cc3ccccc3OC2)c2ccccc2)cc1
InChIInChI=1S/C24H20O4/c1-26-21-13-11-18(12-14-21)23(17-7-3-2-4-8-17)28-24(25)20-15-19-9-5-6-10-22(19)27-16-20/h2-15,23H,16H2,1H3
InChIKeySRKHWHSQFMXBMP-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.80
Rot. Bonds5

About [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate

[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate (PubChem CID 3231535) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate
PubChem CID3231535
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate
SMILESCOc1ccc(C(OC(=O)C2=Cc3ccccc3OC2)c2ccccc2)cc1
InChIInChI=1S/C24H20O4/c1-26-21-13-11-18(12-14-21)23(17-7-3-2-4-8-17)28-24(25)20-15-19-9-5-6-10-22(19)27-16-20/h2-15,23H,16H2,1H3
InChIKeySRKHWHSQFMXBMP-UHFFFAOYSA-N
XLogP4.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 1444651
2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8744287
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
CID 8747959
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8746503
3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene
CID 54042783
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
CID 8744452
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8748933
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8742766
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744266

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate (CID 3231535) is [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate is COc1ccc(C(OC(=O)C2=Cc3ccccc3OC2)c2ccccc2)cc1.
What is the InChIKey of [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate?
The InChIKey is SRKHWHSQFMXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-26-21-13-11-18(12-14-21)23(17-7-3-2-4-8-17)28-24(25)20-15-19-9-5-6-10-22(19)27-16-20/h2-15,23H,16H2,1H3.
What are the key properties of [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate?
[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 3231535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).