3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid

C19H21ClO5 — CID 139894799

IUPAC3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
SMILESCCOC(Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1)C(=O)O
InChIInChI=1S/C19H21ClO5/c1-3-24-18(19(21)22)11-13-7-8-16(23-2)17(10-13)25-12-14-5-4-6-15(20)9-14/h4-10,18H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyHVWDGNVFJJEFGE-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.96
Rot. Bonds9

About 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid

3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid (PubChem CID 139894799) has the molecular formula C19H21ClO5 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
PubChem CID139894799
Molecular FormulaC19H21ClO5
Molecular Weight364.83 g/mol
Exact Mass364.11
IUPAC Name3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
SMILESCCOC(Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1)C(=O)O
InChIInChI=1S/C19H21ClO5/c1-3-24-18(19(21)22)11-13-7-8-16(23-2)17(10-13)25-12-14-5-4-6-15(20)9-14/h4-10,18H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyHVWDGNVFJJEFGE-UHFFFAOYSA-N
XLogP3.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
(2S)-2-amino-2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]acetic acid
CID 66513682
(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 133240512
phenyl 2-ethoxy-3-[4-methoxy-3-[(4-phenoxyphenyl)methoxy]phenyl]propanoate
CID 139894806
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387
2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-methylbutanoic acid
CID 66535246
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
CID 66527554
2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367883
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-2-propan-2-yloxypropanoic acid
CID 71000571
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid?
The IUPAC name of 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid (CID 139894799) is 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid is CCOC(Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1)C(=O)O.
What is the InChIKey of 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid?
The InChIKey is HVWDGNVFJJEFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO5/c1-3-24-18(19(21)22)11-13-7-8-16(23-2)17(10-13)25-12-14-5-4-6-15(20)9-14/h4-10,18H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid?
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid has a molecular weight of 364.83 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid is sourced from PubChem (CID 139894799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).