3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid

C26H22O5 — CID 70014460

IUPAC3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
SMILESCOc1ccc2c(Oc3ccc(CCC(=O)O)cc3)c(-c3cccc(O)c3)ccc2c1
InChIInChI=1S/C26H22O5/c1-30-22-11-13-24-19(16-22)8-12-23(18-3-2-4-20(27)15-18)26(24)31-21-9-5-17(6-10-21)7-14-25(28)29/h2-6,8-13,15-16,27H,7,14H2,1H3,(H,28,29)
InChIKeyMYIITAXEHAQQJZ-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.03
Rot. Bonds7

About 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid

3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid (PubChem CID 70014460) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
PubChem CID70014460
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
SMILESCOc1ccc2c(Oc3ccc(CCC(=O)O)cc3)c(-c3cccc(O)c3)ccc2c1
InChIInChI=1S/C26H22O5/c1-30-22-11-13-24-19(16-22)8-12-23(18-3-2-4-20(27)15-18)26(24)31-21-9-5-17(6-10-21)7-14-25(28)29/h2-6,8-13,15-16,27H,7,14H2,1H3,(H,28,29)
InChIKeyMYIITAXEHAQQJZ-UHFFFAOYSA-N
XLogP6.03
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
CID 70015260
(4-methylphenyl) 4-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butanoate
CID 70016688
ethyl 3-[4-[2-(3-fluoro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoate
CID 70017051
2-[4-[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602790
ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017459
2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603232
2-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602112
[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
CID 67602093
butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018001
N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 107735768
2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
CID 70231169

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid (CID 70014460) is 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid is COc1ccc2c(Oc3ccc(CCC(=O)O)cc3)c(-c3cccc(O)c3)ccc2c1.
What is the InChIKey of 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The InChIKey is MYIITAXEHAQQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-30-22-11-13-24-19(16-22)8-12-23(18-3-2-4-20(27)15-18)26(24)31-21-9-5-17(6-10-21)7-14-25(28)29/h2-6,8-13,15-16,27H,7,14H2,1H3,(H,28,29).
What are the key properties of 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid has a molecular weight of 414.46 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid is sourced from PubChem (CID 70014460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).