(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid

C15H20O5 — CID 103410475

IUPAC(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
SMILESCOCCOCCCOc1ccccc1/C=C/C(=O)O
InChIInChI=1S/C15H20O5/c1-18-11-12-19-9-4-10-20-14-6-3-2-5-13(14)7-8-15(16)17/h2-3,5-8H,4,9-12H2,1H3,(H,16,17)/b8-7+
InChIKeyLHKNEYHLIBMRDN-BQYQJAHWSA-N
MW280.32 g/mol
LogP2.22
Rot. Bonds10

About (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid

(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid (PubChem CID 103410475) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
PubChem CID103410475
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
SMILESCOCCOCCCOc1ccccc1/C=C/C(=O)O
InChIInChI=1S/C15H20O5/c1-18-11-12-19-9-4-10-20-14-6-3-2-5-13(14)7-8-15(16)17/h2-3,5-8H,4,9-12H2,1H3,(H,16,17)/b8-7+
InChIKeyLHKNEYHLIBMRDN-BQYQJAHWSA-N
XLogP2.22
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-enoic acid
CID 103404278
(E)-3-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
CID 103410476
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987887
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20992986
3-[2-(2-hydroxypropoxy)phenyl]prop-2-enoic acid
CID 54269317
3-[2-(4-cyano-4-methylpentoxy)phenyl]prop-2-enoic acid
CID 77063028
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
(E)-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102804

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid (CID 103410475) is (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid is COCCOCCCOc1ccccc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid?
The InChIKey is LHKNEYHLIBMRDN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-11-12-19-9-4-10-20-14-6-3-2-5-13(14)7-8-15(16)17/h2-3,5-8H,4,9-12H2,1H3,(H,16,17)/b8-7+.
What are the key properties of (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid?
(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 103410475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).