3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid

C25H20O4 — CID 20993650

IUPAC3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1c(OCCOc2ccc3ccccc3c2)ccc2ccccc12
InChIInChI=1S/C25H20O4/c26-25(27)14-12-23-22-8-4-3-6-19(22)10-13-24(23)29-16-15-28-21-11-9-18-5-1-2-7-20(18)17-21/h1-14,17H,15-16H2,(H,26,27)
InChIKeyCDOMGQOWASOCOT-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.55
Rot. Bonds7

About 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid

3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid (PubChem CID 20993650) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
PubChem CID20993650
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1c(OCCOc2ccc3ccccc3c2)ccc2ccccc12
InChIInChI=1S/C25H20O4/c26-25(27)14-12-23-22-8-4-3-6-19(22)10-13-24(23)29-16-15-28-21-11-9-18-5-1-2-7-20(18)17-21/h1-14,17H,15-16H2,(H,26,27)
InChIKeyCDOMGQOWASOCOT-UHFFFAOYSA-N
XLogP5.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]naphthalen-1-yl]prop-2-enoic acid
CID 20990772
2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
(E)-3-[1-[(E)-2-carboxyethenyl]naphthalen-2-yl]prop-2-enoic acid
CID 67681158
(E)-3-(2-pentan-2-yloxynaphthalen-1-yl)prop-2-enoic acid
CID 107890419
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 20993434
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
3-[5-chloro-2-[2-(4-phenylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22680952
4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one
CID 135789483

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid?
The IUPAC name of 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid (CID 20993650) is 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid is O=C(O)C=Cc1c(OCCOc2ccc3ccccc3c2)ccc2ccccc12.
What is the InChIKey of 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid?
The InChIKey is CDOMGQOWASOCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c26-25(27)14-12-23-22-8-4-3-6-19(22)10-13-24(23)29-16-15-28-21-11-9-18-5-1-2-7-20(18)17-21/h1-14,17H,15-16H2,(H,26,27).
What are the key properties of 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid?
3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid has a molecular weight of 384.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid is sourced from PubChem (CID 20993650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).