(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate

C22H18O3 — CID 36664572

IUPAC(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccccc1Cc1ccccc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C22H18O3/c23-22(21-15-18-11-5-6-12-19(18)24-21)25-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,21H,14-15H2/t21-/m1/s1
InChIKeyOJXPDPZXRNIRJA-OAQYLSRUSA-N
MW330.38 g/mol
LogP4.19
Rot. Bonds4

About (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate

(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 36664572) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID36664572
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESO=C(Oc1ccccc1Cc1ccccc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C22H18O3/c23-22(21-15-18-11-5-6-12-19(18)24-21)25-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,21H,14-15H2/t21-/m1/s1
InChIKeyOJXPDPZXRNIRJA-OAQYLSRUSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3-pyridinyl) 2,3-dihydro-1-benzofuran-2-carboxylate
CID 60581727
(2,3,6-trimethylphenyl) 2,3-dihydro-1-benzofuran-2-carboxylate
CID 85460622
(2R)-N-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32578805
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
[4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 37005499
(2-ethylphenyl) oxirane-2-carboxylate
CID 56974765
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 38274296
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate (CID 36664572) is (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate is O=C(Oc1ccccc1Cc1ccccc1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is OJXPDPZXRNIRJA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18O3/c23-22(21-15-18-11-5-6-12-19(18)24-21)25-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,21H,14-15H2/t21-/m1/s1.
What are the key properties of (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate?
(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 36664572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).