4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid

C18H20O4 — CID 117484134

IUPAC4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
SMILESCOc1cc(CCCC(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C18H20O4/c1-21-17-12-14(8-5-9-18(19)20)10-11-16(17)22-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,19,20)
InChIKeyIJYYRALSELSNEX-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.68
Rot. Bonds8

About 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid

4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid (PubChem CID 117484134) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
PubChem CID117484134
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
SMILESCOc1cc(CCCC(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C18H20O4/c1-21-17-12-14(8-5-9-18(19)20)10-11-16(17)22-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,19,20)
InChIKeyIJYYRALSELSNEX-UHFFFAOYSA-N
XLogP3.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
11-(3,4-dimethoxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)undecan-1-one
CID 166545050
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid?
The IUPAC name of 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid (CID 117484134) is 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid.
What is the SMILES notation for 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid?
The canonical SMILES for 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid is COc1cc(CCCC(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid?
The InChIKey is IJYYRALSELSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-21-17-12-14(8-5-9-18(19)20)10-11-16(17)22-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,19,20).
What are the key properties of 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid?
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid is sourced from PubChem (CID 117484134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).