2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate

C18H18O5 — CID 167893376

IUPAC2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1[C@@H](O)C(=O)OCC1Cc2ccccc2O1
InChIInChI=1S/C18H18O5/c1-21-16-9-5-3-7-14(16)17(19)18(20)22-11-13-10-12-6-2-4-8-15(12)23-13/h2-9,13,17,19H,10-11H2,1H3/t13?,17-/m1/s1
InChIKeyPZUKSFVFKCTPGL-LRHAYUFXSA-N
MW314.34 g/mol
LogP2.28
Rot. Bonds5

About 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate

2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate (PubChem CID 167893376) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate
PubChem CID167893376
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1[C@@H](O)C(=O)OCC1Cc2ccccc2O1
InChIInChI=1S/C18H18O5/c1-21-16-9-5-3-7-14(16)17(19)18(20)22-11-13-10-12-6-2-4-8-15(12)23-13/h2-9,13,17,19H,10-11H2,1H3/t13?,17-/m1/s1
InChIKeyPZUKSFVFKCTPGL-LRHAYUFXSA-N
XLogP2.28
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1-benzofuran-2-ylmethyl 3,5-diaminobenzoate
CID 66365761
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 11195526
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
2,3-dihydro-1-benzofuran-2-ylmethyl 3-amino-4-bromobenzoate
CID 66365571
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
(1R)-1-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanol
CID 79036087
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate (CID 167893376) is 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate is COc1ccccc1[C@@H](O)C(=O)OCC1Cc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate?
The InChIKey is PZUKSFVFKCTPGL-LRHAYUFXSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-16-9-5-3-7-14(16)17(19)18(20)22-11-13-10-12-6-2-4-8-15(12)23-13/h2-9,13,17,19H,10-11H2,1H3/t13?,17-/m1/s1.
What are the key properties of 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate?
2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate has a molecular weight of 314.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-ylmethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 167893376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).