2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid

C21H18O5 — CID 155499378

IUPAC2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid
SMILESCOc1ccc2cc(-c3cccc(CC(=O)O)c3)ccc2c1CC(=O)O
InChIInChI=1S/C21H18O5/c1-26-19-8-6-16-11-15(5-7-17(16)18(19)12-21(24)25)14-4-2-3-13(9-14)10-20(22)23/h2-9,11H,10,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyXZMOJNRZCOSNDZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.77
Rot. Bonds6

About 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid

2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid (PubChem CID 155499378) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid
PubChem CID155499378
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid
SMILESCOc1ccc2cc(-c3cccc(CC(=O)O)c3)ccc2c1CC(=O)O
InChIInChI=1S/C21H18O5/c1-26-19-8-6-16-11-15(5-7-17(16)18(19)12-21(24)25)14-4-2-3-13(9-14)10-20(22)23/h2-9,11H,10,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyXZMOJNRZCOSNDZ-UHFFFAOYSA-N
XLogP3.77
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
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CID 70910343
2-[3-[4-methoxy-3-[[(4-phenylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59218875
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
CID 176513636
2-[3-[3-[N-[(4-chlorophenyl)methoxy]-C-methylcarbonimidoyl]-4-methoxyphenyl]phenyl]acetic acid
CID 74010623
2-[3-[4-methoxy-3-[[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenyl]phenyl]acetic acid
CID 59219123
2-[3-[4-methoxy-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59218903
2-[3-[4-methoxy-3-[3-[2-(trifluoromethyl)phenoxy]prop-1-ynyl]phenyl]phenyl]acetic acid
CID 68634480

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid (CID 155499378) is 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid is COc1ccc2cc(-c3cccc(CC(=O)O)c3)ccc2c1CC(=O)O.
What is the InChIKey of 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid?
The InChIKey is XZMOJNRZCOSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-26-19-8-6-16-11-15(5-7-17(16)18(19)12-21(24)25)14-4-2-3-13(9-14)10-20(22)23/h2-9,11H,10,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid?
2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid is sourced from PubChem (CID 155499378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).