ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane

C16H28O3 — CID 176991202

IUPACethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
SMILESCC.CCOC.CCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H14O2.C3H8O.C2H6/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-3-4-2;1-2/h3-6H,2,7-8H2,1H3,(H,12,13);3H2,1-2H3;1-2H3
InChIKeyNGRCRCFXXTUBMG-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.95
Rot. Bonds5

About ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane

ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane (PubChem CID 176991202) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane.

Molecular Properties

Compound Nameethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
PubChem CID176991202
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
SMILESCC.CCOC.CCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C11H14O2.C3H8O.C2H6/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-3-4-2;1-2/h3-6H,2,7-8H2,1H3,(H,12,13);3H2,1-2H3;1-2H3
InChIKeyNGRCRCFXXTUBMG-UHFFFAOYSA-N
XLogP3.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58454931
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2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
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3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane?
The IUPAC name of ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane (CID 176991202) is ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane.
What is the SMILES notation for ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane?
The canonical SMILES for ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane is CC.CCOC.CCc1ccc(CCC(=O)O)cc1.
What is the InChIKey of ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane?
The InChIKey is NGRCRCFXXTUBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C3H8O.C2H6/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-3-4-2;1-2/h3-6H,2,7-8H2,1H3,(H,12,13);3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane?
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane has a molecular weight of 268.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane is sourced from PubChem (CID 176991202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).