2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid

C23H21ClO4 — CID 70910343

IUPAC2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid
SMILESCOc1ccc(-c2cccc(CC(=O)O)c2)cc1COc1ccc(C)cc1Cl
InChIInChI=1S/C23H21ClO4/c1-15-6-8-22(20(24)10-15)28-14-19-13-18(7-9-21(19)27-2)17-5-3-4-16(11-17)12-23(25)26/h3-11,13H,12,14H2,1-2H3,(H,25,26)
InChIKeyMVLPKPOTRFWOJE-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.53
Rot. Bonds7

About 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid

2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid (PubChem CID 70910343) has the molecular formula C23H21ClO4 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid
PubChem CID70910343
Molecular FormulaC23H21ClO4
Molecular Weight396.87 g/mol
Exact Mass396.11
IUPAC Name2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid
SMILESCOc1ccc(-c2cccc(CC(=O)O)c2)cc1COc1ccc(C)cc1Cl
InChIInChI=1S/C23H21ClO4/c1-15-6-8-22(20(24)10-15)28-14-19-13-18(7-9-21(19)27-2)17-5-3-4-16(11-17)12-23(25)26/h3-11,13H,12,14H2,1-2H3,(H,25,26)
InChIKeyMVLPKPOTRFWOJE-UHFFFAOYSA-N
XLogP5.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
2-[3-[3-[[(3,4-dichlorophenyl)methoxycarbonylamino]methyl]-4-methoxyphenyl]phenyl]acetic acid
CID 59219299
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
CID 170885623
2-[3-[4-methoxy-3-[[(4-phenylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59218875
2-[3-[3-[N-[(4-chlorophenyl)methoxy]-C-methylcarbonimidoyl]-4-methoxyphenyl]phenyl]acetic acid
CID 74010623
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
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-[5-(carboxymethyl)-6-methoxynaphthalen-2-yl]phenyl]acetic acid
CID 155499378
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid (CID 70910343) is 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid is COc1ccc(-c2cccc(CC(=O)O)c2)cc1COc1ccc(C)cc1Cl.
What is the InChIKey of 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid?
The InChIKey is MVLPKPOTRFWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO4/c1-15-6-8-22(20(24)10-15)28-14-19-13-18(7-9-21(19)27-2)17-5-3-4-16(11-17)12-23(25)26/h3-11,13H,12,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid?
2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid has a molecular weight of 396.87 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]phenyl]acetic acid is sourced from PubChem (CID 70910343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).