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

C26H22O5 — CID 67603232

IUPAC2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
SMILESCOc1ccc2c(Oc3ccc(C(C)C(=O)O)cc3)c(-c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C26H22O5/c1-16(26(28)29)17-5-10-21(11-6-17)31-25-23(18-3-8-20(27)9-4-18)13-7-19-15-22(30-2)12-14-24(19)25/h3-16,27H,1-2H3,(H,28,29)
InChIKeyHAUAMWRVWRYPOY-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.20
Rot. Bonds6

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

2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid (PubChem CID 67603232) has the molecular formula C26H22O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
PubChem CID67603232
Molecular FormulaC26H22O5
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
SMILESCOc1ccc2c(Oc3ccc(C(C)C(=O)O)cc3)c(-c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C26H22O5/c1-16(26(28)29)17-5-10-21(11-6-17)31-25-23(18-3-8-20(27)9-4-18)13-7-19-15-22(30-2)12-14-24(19)25/h3-16,27H,1-2H3,(H,28,29)
InChIKeyHAUAMWRVWRYPOY-UHFFFAOYSA-N
XLogP6.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603134
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
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014578
[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenyl] trifluoromethanesulfonate
CID 171446907
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
CID 170775302

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The IUPAC name of 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid (CID 67603232) is 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid.
What is the SMILES notation for 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The canonical SMILES for 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid is COc1ccc2c(Oc3ccc(C(C)C(=O)O)cc3)c(-c3ccc(O)cc3)ccc2c1.
What is the InChIKey of 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The InChIKey is HAUAMWRVWRYPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O5/c1-16(26(28)29)17-5-10-21(11-6-17)31-25-23(18-3-8-20(27)9-4-18)13-7-19-15-22(30-2)12-14-24(19)25/h3-16,27H,1-2H3,(H,28,29).
What are the key properties of 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid has a molecular weight of 414.46 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid is sourced from PubChem (CID 67603232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).