ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane

C34H32O5 — CID 158786173

IUPACethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane
SMILESC.CCOC(=O)COc1cccc(-c2ccccc2-c2oc(-c3ccccc3)c(-c3ccccc3)c2CO)c1
InChIInChI=1S/C33H28O5.CH4/c1-2-36-30(35)22-37-26-17-11-16-25(20-26)27-18-9-10-19-28(27)33-29(21-34)31(23-12-5-3-6-13-23)32(38-33)24-14-7-4-8-15-24;/h3-20,34H,2,21-22H2,1H3;1H4
InChIKeyIRSDGRBKJPUNNZ-UHFFFAOYSA-N
MW520.63 g/mol
LogP8.02
Rot. Bonds9

About ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane

ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane (PubChem CID 158786173) has the molecular formula C34H32O5 and a molecular weight of 520.63 g/mol. Its IUPAC name is ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane.

Molecular Properties

Compound Nameethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane
PubChem CID158786173
Molecular FormulaC34H32O5
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC Nameethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane
SMILESC.CCOC(=O)COc1cccc(-c2ccccc2-c2oc(-c3ccccc3)c(-c3ccccc3)c2CO)c1
InChIInChI=1S/C33H28O5.CH4/c1-2-36-30(35)22-37-26-17-11-16-25(20-26)27-18-9-10-19-28(27)33-29(21-34)31(23-12-5-3-6-13-23)32(38-33)24-14-7-4-8-15-24;/h3-20,34H,2,21-22H2,1H3;1H4
InChIKeyIRSDGRBKJPUNNZ-UHFFFAOYSA-N
XLogP8.02
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[2-(3-formyl-4,5-diphenylfuran-2-yl)phenyl]phenoxy]acetate
CID 20577364
ethyl 3-(2-bromophenyl)-3-oxopropanoate;2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetic acid
CID 159392608
ethyl 2-[3-(furan-3-yl)phenoxy]acetate
CID 123534132
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
CID 18415841
ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate
CID 18971687
ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
CID 54031249
ethyl 2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 15550200
(2-phenylphenyl) 2-(3-methylphenoxy)acetate
CID 922978
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane?
The IUPAC name of ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane (CID 158786173) is ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane.
What is the SMILES notation for ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane?
The canonical SMILES for ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane is C.CCOC(=O)COc1cccc(-c2ccccc2-c2oc(-c3ccccc3)c(-c3ccccc3)c2CO)c1.
What is the InChIKey of ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane?
The InChIKey is IRSDGRBKJPUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O5.CH4/c1-2-36-30(35)22-37-26-17-11-16-25(20-26)27-18-9-10-19-28(27)33-29(21-34)31(23-12-5-3-6-13-23)32(38-33)24-14-7-4-8-15-24;/h3-20,34H,2,21-22H2,1H3;1H4.
What are the key properties of ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane?
ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane has a molecular weight of 520.63 g/mol, XLogP of 8.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane is sourced from PubChem (CID 158786173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).