3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate

C19H18O4 — CID 170048859

IUPAC3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OC2CCOc3ccccc32)c1
InChIInChI=1S/C19H18O4/c1-3-13-8-9-16(21-2)15(12-13)19(20)23-18-10-11-22-17-7-5-4-6-14(17)18/h3-9,12,18H,1,10-11H2,2H3
InChIKeyXZDGYRSOBOJMFJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.02
Rot. Bonds4

About 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate

3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate (PubChem CID 170048859) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate
PubChem CID170048859
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OC2CCOc3ccccc32)c1
InChIInChI=1S/C19H18O4/c1-3-13-8-9-16(21-2)15(12-13)19(20)23-18-10-11-22-17-7-5-4-6-14(17)18/h3-9,12,18H,1,10-11H2,2H3
InChIKeyXZDGYRSOBOJMFJ-UHFFFAOYSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate
CID 119045683
[(3S)-2-oxooxolan-3-yl] 4-methoxynaphthalene-1-carboxylate
CID 8595816
3,4-dihydro-2H-chromen-4-yl 2,2-dimethylbutanoate
CID 58031028
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
CID 108757186
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-nitrobenzamide
CID 18115291
(2-oxooxolan-3-yl) 2,3,4-trimethoxybenzoate
CID 23847503
[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253937
[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 7102005
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate (CID 170048859) is 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate is C=Cc1ccc(OC)c(C(=O)OC2CCOc3ccccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate?
The InChIKey is XZDGYRSOBOJMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-13-8-9-16(21-2)15(12-13)19(20)23-18-10-11-22-17-7-5-4-6-14(17)18/h3-9,12,18H,1,10-11H2,2H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate?
3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate has a molecular weight of 310.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate is sourced from PubChem (CID 170048859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).