methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate

C25H22O5 — CID 175856803

IUPACmethyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate
SMILESCOC(=O)c1ccc([C@H](Oc2ccc3c(c2C)OCCC3=O)c2ccccc2)cc1
InChIInChI=1S/C25H22O5/c1-16-22(13-12-20-21(26)14-15-29-23(16)20)30-24(17-6-4-3-5-7-17)18-8-10-19(11-9-18)25(27)28-2/h3-13,24H,14-15H2,1-2H3/t24-/m1/s1
InChIKeyASXIWRHSEPBWSS-XMMPIXPASA-N
MW402.45 g/mol
LogP4.92
Rot. Bonds5

About methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate

methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate (PubChem CID 175856803) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate
PubChem CID175856803
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Namemethyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate
SMILESCOC(=O)c1ccc([C@H](Oc2ccc3c(c2C)OCCC3=O)c2ccccc2)cc1
InChIInChI=1S/C25H22O5/c1-16-22(13-12-20-21(26)14-15-29-23(16)20)30-24(17-6-4-3-5-7-17)18-8-10-19(11-9-18)25(27)28-2/h3-13,24H,14-15H2,1-2H3/t24-/m1/s1
InChIKeyASXIWRHSEPBWSS-XMMPIXPASA-N
XLogP4.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate with MolForge

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Related Compounds

4-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-(1-oxidopyridin-1-ium-2-yl)methyl]benzamide
CID 166771523
4-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-(1-oxidopyridin-1-ium-2-yl)methyl]benzonitrile
CID 156870927
4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(8-iodo-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide
CID 175856789
8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
CID 156871270
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
4-[(R)-(4-oxo-8-propan-2-yl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856887
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
methyl 4-(1-phenylethylamino)benzoate
CID 43217232

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate?
The IUPAC name of methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate (CID 175856803) is methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate.
What is the SMILES notation for methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate?
The canonical SMILES for methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate is COC(=O)c1ccc([C@H](Oc2ccc3c(c2C)OCCC3=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate?
The InChIKey is ASXIWRHSEPBWSS-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22O5/c1-16-22(13-12-20-21(26)14-15-29-23(16)20)30-24(17-6-4-3-5-7-17)18-8-10-19(11-9-18)25(27)28-2/h3-13,24H,14-15H2,1-2H3/t24-/m1/s1.
What are the key properties of methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate?
methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate has a molecular weight of 402.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(R)-(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-phenylmethyl]benzoate is sourced from PubChem (CID 175856803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).