(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate

C21H24O5 — CID 55323446

IUPAC(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
SMILESCCOc1ccccc1COC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H24O5/c1-2-23-20-8-4-3-6-17(20)14-26-21(22)16-9-11-18(12-10-16)25-15-19-7-5-13-24-19/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3
InChIKeyZGRYTJCFYJTPQS-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.00
Rot. Bonds8

About (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate

(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate (PubChem CID 55323446) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
PubChem CID55323446
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
SMILESCCOc1ccccc1COC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H24O5/c1-2-23-20-8-4-3-6-17(20)14-26-21(22)16-9-11-18(12-10-16)25-15-19-7-5-13-24-19/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3
InChIKeyZGRYTJCFYJTPQS-UHFFFAOYSA-N
XLogP4.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2113657
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
(7-ethyl-2-oxochromen-4-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7994556
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
methyl (2R)-2-[(4-ethoxyphenyl)methyl]-3-[[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methylamino]propanoate
CID 97261629
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate?
The IUPAC name of (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate (CID 55323446) is (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate?
The canonical SMILES for (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate is CCOc1ccccc1COC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate?
The InChIKey is ZGRYTJCFYJTPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-2-23-20-8-4-3-6-17(20)14-26-21(22)16-9-11-18(12-10-16)25-15-19-7-5-13-24-19/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3.
What are the key properties of (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate?
(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate has a molecular weight of 356.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate is sourced from PubChem (CID 55323446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).