[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

C18H18O4 — CID 10756490

IUPAC[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
SMILESCOc1ccc([C@H]2Oc3ccccc3C[C@H]2OC(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3/t17-,18-/m1/s1
InChIKeyAJTHQFDFQAZPKC-QZTJIDSGSA-N
MW298.34 g/mol
LogP3.30
Rot. Bonds3

About [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate (PubChem CID 10756490) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
PubChem CID10756490
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
SMILESCOc1ccc([C@H]2Oc3ccccc3C[C@H]2OC(C)=O)cc1
InChIInChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3/t17-,18-/m1/s1
InChIKeyAJTHQFDFQAZPKC-QZTJIDSGSA-N
XLogP3.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate (CID 10756490) is [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate is COc1ccc([C@H]2Oc3ccccc3C[C@H]2OC(C)=O)cc1.
What is the InChIKey of [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
The InChIKey is AJTHQFDFQAZPKC-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H18O4/c1-12(19)21-17-11-14-5-3-4-6-16(14)22-18(17)13-7-9-15(20-2)10-8-13/h3-10,17-18H,11H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?
[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate is sourced from PubChem (CID 10756490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).