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

C26H21ClO4 — CID 67603134

IUPAC2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
SMILESCOc1ccc2c(Oc3ccc(C(C)C(=O)O)cc3)c(-c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C26H21ClO4/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/h3-16H,1-2H3,(H,28,29)
InChIKeyJAYNFYIKSXXCRR-UHFFFAOYSA-N
MW432.90 g/mol
LogP7.15
Rot. Bonds6

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

2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid (PubChem CID 67603134) has the molecular formula C26H21ClO4 and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
PubChem CID67603134
Molecular FormulaC26H21ClO4
Molecular Weight432.90 g/mol
Exact Mass432.11
IUPAC Name2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
SMILESCOc1ccc2c(Oc3ccc(C(C)C(=O)O)cc3)c(-c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C26H21ClO4/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/h3-16H,1-2H3,(H,28,29)
InChIKeyJAYNFYIKSXXCRR-UHFFFAOYSA-N
XLogP7.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603232
3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014578
2-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602112
ethyl 3-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017507
[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl] propanoate
CID 67602093
2-[4-[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602790
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenyl] trifluoromethanesulfonate
CID 171446907
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid (CID 67603134) is 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid is COc1ccc2c(Oc3ccc(C(C)C(=O)O)cc3)c(-c3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
The InChIKey is JAYNFYIKSXXCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClO4/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/h3-16H,1-2H3,(H,28,29).
What are the key properties of 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid?
2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid has a molecular weight of 432.90 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid is sourced from PubChem (CID 67603134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).