[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate

C17H17BrO5 — CID 41068647

IUPAC[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H17BrO5/c18-14-5-1-2-6-15(14)21-11-13-7-8-16(23-13)17(19)22-10-12-4-3-9-20-12/h1-2,5-8,12H,3-4,9-11H2/t12-/m0/s1
InChIKeyIBGLGRIPRFZBGF-LBPRGKRZSA-N
MW381.22 g/mol
LogP3.96
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate

[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate (PubChem CID 41068647) has the molecular formula C17H17BrO5 and a molecular weight of 381.22 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate
PubChem CID41068647
Molecular FormulaC17H17BrO5
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H17BrO5/c18-14-5-1-2-6-15(14)21-11-13-7-8-16(23-13)17(19)22-10-12-4-3-9-20-12/h1-2,5-8,12H,3-4,9-11H2/t12-/m0/s1
InChIKeyIBGLGRIPRFZBGF-LBPRGKRZSA-N
XLogP3.96
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
5-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
CID 19450249
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[(2-bromophenyl)methoxy]benzoate
CID 42979661
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide
CID 35525159

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate (CID 41068647) is [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate is O=C(OC[C@@H]1CCCO1)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate?
The InChIKey is IBGLGRIPRFZBGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17BrO5/c18-14-5-1-2-6-15(14)21-11-13-7-8-16(23-13)17(19)22-10-12-4-3-9-20-12/h1-2,5-8,12H,3-4,9-11H2/t12-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate?
[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate has a molecular weight of 381.22 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 41068647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).