[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate

C19H22O6S — CID 90748209

IUPAC[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate
SMILESCCS(=O)(=O)O[C@@H]1CCc2cc(OC)c(OCc3ccccc3)cc2O1
InChIInChI=1S/C19H22O6S/c1-3-26(20,21)25-19-10-9-15-11-17(22-2)18(12-16(15)24-19)23-13-14-7-5-4-6-8-14/h4-8,11-12,19H,3,9-10,13H2,1-2H3/t19-/m1/s1
InChIKeyWOJJPQHQGWVENI-LJQANCHMSA-N
MW378.45 g/mol
LogP3.29
Rot. Bonds7

About [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate

[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate (PubChem CID 90748209) has the molecular formula C19H22O6S and a molecular weight of 378.45 g/mol. Its IUPAC name is [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate.

Molecular Properties

Compound Name[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate
PubChem CID90748209
Molecular FormulaC19H22O6S
Molecular Weight378.45 g/mol
Exact Mass378.11
IUPAC Name[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate
SMILESCCS(=O)(=O)O[C@@H]1CCc2cc(OC)c(OCc3ccccc3)cc2O1
InChIInChI=1S/C19H22O6S/c1-3-26(20,21)25-19-10-9-15-11-17(22-2)18(12-16(15)24-19)23-13-14-7-5-4-6-8-14/h4-8,11-12,19H,3,9-10,13H2,1-2H3/t19-/m1/s1
InChIKeyWOJJPQHQGWVENI-LJQANCHMSA-N
XLogP3.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate with MolForge

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Related Compounds

(2R)-6-methoxy-2-phenylmethoxy-3,4-dihydro-2H-chromene
CID 164682445
1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine
CID 54414791
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 139637319
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 156760249
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 139828260
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate?
The IUPAC name of [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate (CID 90748209) is [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate.
What is the SMILES notation for [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate?
The canonical SMILES for [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate is CCS(=O)(=O)O[C@@H]1CCc2cc(OC)c(OCc3ccccc3)cc2O1.
What is the InChIKey of [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate?
The InChIKey is WOJJPQHQGWVENI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22O6S/c1-3-26(20,21)25-19-10-9-15-11-17(22-2)18(12-16(15)24-19)23-13-14-7-5-4-6-8-14/h4-8,11-12,19H,3,9-10,13H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate?
[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate has a molecular weight of 378.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate is sourced from PubChem (CID 90748209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).