ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate

C17H26O3 — CID 166942858

IUPACethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate
SMILESCCOC(=O)Cc1ccccc1O[C@@](C)(CC)C(C)C
InChIInChI=1S/C17H26O3/c1-6-17(5,13(3)4)20-15-11-9-8-10-14(15)12-16(18)19-7-2/h8-11,13H,6-7,12H2,1-5H3/t17-/m0/s1
InChIKeyWZPKCEWVRAAGIK-KRWDZBQOSA-N
MW278.39 g/mol
LogP4.00
Rot. Bonds7

About ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate

ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate (PubChem CID 166942858) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate
PubChem CID166942858
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate
SMILESCCOC(=O)Cc1ccccc1O[C@@](C)(CC)C(C)C
InChIInChI=1S/C17H26O3/c1-6-17(5,13(3)4)20-15-11-9-8-10-14(15)12-16(18)19-7-2/h8-11,13H,6-7,12H2,1-5H3/t17-/m0/s1
InChIKeyWZPKCEWVRAAGIK-KRWDZBQOSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
CID 139576190
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate
CID 166942836
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 2-[2-[(E)-4-[3-(aminomethyl)-2-fluorophenyl]-2-methylpent-3-en-2-yl]oxyphenyl]acetate
CID 166942659
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate?
The IUPAC name of ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate (CID 166942858) is ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate?
The canonical SMILES for ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate is CCOC(=O)Cc1ccccc1O[C@@](C)(CC)C(C)C.
What is the InChIKey of ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate?
The InChIKey is WZPKCEWVRAAGIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26O3/c1-6-17(5,13(3)4)20-15-11-9-8-10-14(15)12-16(18)19-7-2/h8-11,13H,6-7,12H2,1-5H3/t17-/m0/s1.
What are the key properties of ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate?
ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate has a molecular weight of 278.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3S)-2,3-dimethylpentan-3-yl]oxyphenyl]acetate is sourced from PubChem (CID 166942858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).