ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate

C25H24O5 — CID 139637319

IUPACethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2O1
InChIInChI=1S/C25H24O5/c1-2-27-25(26)24-14-20-13-22(28-16-18-9-5-3-6-10-18)23(15-21(20)30-24)29-17-19-11-7-4-8-12-19/h3-13,15,24H,2,14,16-17H2,1H3
InChIKeyCGIVXZKBEFDTOX-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.71
Rot. Bonds8

About ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate

ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 139637319) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID139637319
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Nameethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2O1
InChIInChI=1S/C25H24O5/c1-2-27-25(26)24-14-20-13-22(28-16-18-9-5-3-6-10-18)23(15-21(20)30-24)29-17-19-11-7-4-8-12-19/h3-13,15,24H,2,14,16-17H2,1H3
InChIKeyCGIVXZKBEFDTOX-UHFFFAOYSA-N
XLogP4.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
ethyl 5-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14796812
ethyl 7-[(4-methylphenyl)methoxy]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392783
ethyl 5-(2-fluorobenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 13343691
ethyl 4-hydroxyimino-2,3-dihydrochromene-2-carboxylate
CID 131869021
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
ethyl (5-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-7-yl) carbonate
CID 22364456
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl (2S)-4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 162859057
ethyl (3S)-6,7-dimethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 125479982
ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 23552754
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate (CID 139637319) is ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate is CCOC(=O)C1Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2O1.
What is the InChIKey of ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is CGIVXZKBEFDTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-2-27-25(26)24-14-20-13-22(28-16-18-9-5-3-6-10-18)23(15-21(20)30-24)29-17-19-11-7-4-8-12-19/h3-13,15,24H,2,14,16-17H2,1H3.
What are the key properties of ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate?
ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 404.46 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-bis(phenylmethoxy)-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 139637319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).