ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate

C19H22O3 — CID 66875325

IUPACethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(OCc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22O3/c1-4-21-19(20)12-16-6-5-7-18(11-16)22-13-17-9-8-14(2)10-15(17)3/h5-11H,4,12-13H2,1-3H3
InChIKeyHGBHLRKJPWIRFG-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.99
Rot. Bonds6

About ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate

ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate (PubChem CID 66875325) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
PubChem CID66875325
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Nameethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(OCc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22O3/c1-4-21-19(20)12-16-6-5-7-18(11-16)22-13-17-9-8-14(2)10-15(17)3/h5-11H,4,12-13H2,1-3H3
InChIKeyHGBHLRKJPWIRFG-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
ethyl 2-[3-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]acetate
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ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
4-[(3-ethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482207
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
ethyl 2-(3-sulfanylphenyl)acetate
CID 66764945
4-[(2,4-dimethylphenyl)methoxy]benzoic acid
CID 131881242
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
CID 54494277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate (CID 66875325) is ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate is CCOC(=O)Cc1cccc(OCc2ccc(C)cc2C)c1.
What is the InChIKey of ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate?
The InChIKey is HGBHLRKJPWIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-21-19(20)12-16-6-5-7-18(11-16)22-13-17-9-8-14(2)10-15(17)3/h5-11H,4,12-13H2,1-3H3.
What are the key properties of ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate?
ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate has a molecular weight of 298.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate is sourced from PubChem (CID 66875325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).