3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid

C18H18O5 — CID 22685156

IUPAC3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
SMILESCOc1ccccc1OCCOc1ccccc1C=CC(=O)O
InChIInChI=1S/C18H18O5/c1-21-16-8-4-5-9-17(16)23-13-12-22-15-7-3-2-6-14(15)10-11-18(19)20/h2-11H,12-13H2,1H3,(H,19,20)
InChIKeyTVRBBXLYQCLTSY-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.25
Rot. Bonds8

About 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid

3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid (PubChem CID 22685156) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
PubChem CID22685156
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
SMILESCOc1ccccc1OCCOc1ccccc1C=CC(=O)O
InChIInChI=1S/C18H18O5/c1-21-16-8-4-5-9-17(16)23-13-12-22-15-7-3-2-6-14(15)10-11-18(19)20/h2-11H,12-13H2,1H3,(H,19,20)
InChIKeyTVRBBXLYQCLTSY-UHFFFAOYSA-N
XLogP3.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.25
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

3-[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20985993
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
(E)-3-[2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-enoic acid
CID 103410475
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
3-[2-(2-hydroxypropoxy)phenyl]prop-2-enoic acid
CID 54269317
(E)-4-(2-methoxyphenoxy)but-2-enoic acid
CID 62342886
3-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 76905058
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
(E)-3-[2-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoic acid
CID 153427172

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid (CID 22685156) is 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid is COc1ccccc1OCCOc1ccccc1C=CC(=O)O.
What is the InChIKey of 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid?
The InChIKey is TVRBBXLYQCLTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-16-8-4-5-9-17(16)23-13-12-22-15-7-3-2-6-14(15)10-11-18(19)20/h2-11H,12-13H2,1H3,(H,19,20).
What are the key properties of 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid?
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid has a molecular weight of 314.34 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 22685156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).