(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid

C14H18O4 — CID 30045988

IUPAC(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
SMILESC=CCc1cc(OCC)ccc1O[C@H](C)C(=O)O
InChIInChI=1S/C14H18O4/c1-4-6-11-9-12(17-5-2)7-8-13(11)18-10(3)14(15)16/h4,7-10H,1,5-6H2,2-3H3,(H,15,16)/t10-/m1/s1
InChIKeyPIJRNGJACJNBRS-SNVBAGLBSA-N
MW250.29 g/mol
LogP2.67
Rot. Bonds7

About (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid

(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid (PubChem CID 30045988) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
PubChem CID30045988
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
SMILESC=CCc1cc(OCC)ccc1O[C@H](C)C(=O)O
InChIInChI=1S/C14H18O4/c1-4-6-11-9-12(17-5-2)7-8-13(11)18-10(3)14(15)16/h4,7-10H,1,5-6H2,2-3H3,(H,15,16)/t10-/m1/s1
InChIKeyPIJRNGJACJNBRS-SNVBAGLBSA-N
XLogP2.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
CID 79356851
4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
CID 64697737
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 63515567
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
1-[4-(2-methoxyethoxy)-2-prop-2-enylphenoxy]-3-(propan-2-ylamino)propan-1-ol
CID 21493566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid?
The IUPAC name of (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid (CID 30045988) is (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid is C=CCc1cc(OCC)ccc1O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid?
The InChIKey is PIJRNGJACJNBRS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-6-11-9-12(17-5-2)7-8-13(11)18-10(3)14(15)16/h4,7-10H,1,5-6H2,2-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid?
(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid is sourced from PubChem (CID 30045988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).