2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid

C22H20O4 — CID 22930517

IUPAC2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(-c2cccc(CC(=O)O)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c1-25-20-11-10-19(18-9-5-8-17(12-18)13-22(23)24)14-21(20)26-15-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyDZDQDYVLRRPCET-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.57
Rot. Bonds7

About 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid

2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid (PubChem CID 22930517) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
PubChem CID22930517
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(-c2cccc(CC(=O)O)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c1-25-20-11-10-19(18-9-5-8-17(12-18)13-22(23)24)14-21(20)26-15-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyDZDQDYVLRRPCET-UHFFFAOYSA-N
XLogP4.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid
CID 70910343
2-[3-[4-methoxy-3-[[(4-phenylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59218875
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
2-[3-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid
CID 155499378
2-[3-[4-methoxy-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59218903
2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetic acid
CID 22682634
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
tert-butyl 4-[[3-(3-methoxy-4-phenylmethoxyphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 171675504

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid (CID 22930517) is 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid is COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCc1ccccc1.
What is the InChIKey of 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid?
The InChIKey is DZDQDYVLRRPCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-20-11-10-19(18-9-5-8-17(12-18)13-22(23)24)14-21(20)26-15-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,23,24).
What are the key properties of 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid?
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 22930517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).