2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid

C21H20O3 — CID 72942498

IUPAC2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccccc1-c1cc(OC)c2ccccc2c1
InChIInChI=1S/C21H20O3/c1-3-16(21(22)23)19-11-7-6-9-17(19)15-12-14-8-4-5-10-18(14)20(13-15)24-2/h4-13,16H,3H2,1-2H3,(H,22,23)
InChIKeyAVPPPGSWCBWIJV-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.09
Rot. Bonds5

About 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid

2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid (PubChem CID 72942498) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
PubChem CID72942498
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccccc1-c1cc(OC)c2ccccc2c1
InChIInChI=1S/C21H20O3/c1-3-16(21(22)23)19-11-7-6-9-17(19)15-12-14-8-4-5-10-18(14)20(13-15)24-2/h4-13,16H,3H2,1-2H3,(H,22,23)
InChIKeyAVPPPGSWCBWIJV-UHFFFAOYSA-N
XLogP5.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-(4-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 18692667
2-(3-aminonaphthalen-1-yl)butanoic acid
CID 67115585
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
(4-methoxynaphthalen-2-yl)-phenylmethanol
CID 72942487
2-isoquinolin-4-ylbutanoic acid
CID 63940915
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83955219
1-methoxy-3-(4-methylphenyl)naphthalene
CID 59399525
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-(4,5-difluoro-2-methoxyphenyl)butanoic acid
CID 84793557
2-(2-phenylphenyl)pentanoic acid
CID 67565626
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
2-(4-methoxy-3-methylnaphthalen-2-yl)butanedioic acid
CID 54052042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid?
The IUPAC name of 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid (CID 72942498) is 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid.
What is the SMILES notation for 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid?
The canonical SMILES for 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid is CCC(C(=O)O)c1ccccc1-c1cc(OC)c2ccccc2c1.
What is the InChIKey of 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid?
The InChIKey is AVPPPGSWCBWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-3-16(21(22)23)19-11-7-6-9-17(19)15-12-14-8-4-5-10-18(14)20(13-15)24-2/h4-13,16H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid?
2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid has a molecular weight of 320.39 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid is sourced from PubChem (CID 72942498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).