2-[(3-methoxyphenyl)methoxy]dodecanoic acid

C20H32O4 — CID 67004671

IUPAC2-[(3-methoxyphenyl)methoxy]dodecanoic acid
SMILESCCCCCCCCCCC(OCc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-10-14-19(20(21)22)24-16-17-12-11-13-18(15-17)23-2/h11-13,15,19H,3-10,14,16H2,1-2H3,(H,21,22)
InChIKeyPVNPADAQXROUPG-UHFFFAOYSA-N
MW336.47 g/mol
LogP5.20
Rot. Bonds14

About 2-[(3-methoxyphenyl)methoxy]dodecanoic acid

2-[(3-methoxyphenyl)methoxy]dodecanoic acid (PubChem CID 67004671) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]dodecanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]dodecanoic acid
PubChem CID67004671
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name2-[(3-methoxyphenyl)methoxy]dodecanoic acid
SMILESCCCCCCCCCCC(OCc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-10-14-19(20(21)22)24-16-17-12-11-13-18(15-17)23-2/h11-13,15,19H,3-10,14,16H2,1-2H3,(H,21,22)
InChIKeyPVNPADAQXROUPG-UHFFFAOYSA-N
XLogP5.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
3-(3-methoxyphenyl)propanoic acid;2-phenoxyundecanoic acid
CID 70199280
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
2-[(3-methoxyphenyl)methoxy]pentanehydrazide
CID 83047753
2-fluoro-2-[(3-methoxyphenyl)methoxy]acetic acid
CID 79356369
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
methyl 7-[(3-methoxyphenyl)methoxy]-8-[N-[(3-methoxyphenyl)methyl]anilino]-8-oxooctanoate
CID 59316182
2-(2-phenoxyethoxy)tetradecanoic acid
CID 122611876
2-[(3-chlorophenyl)methoxy]pentanoic acid
CID 83038083
2-(2-phenoxyethoxy)pentadecanoic acid
CID 122612494
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]dodecanoic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]dodecanoic acid (CID 67004671) is 2-[(3-methoxyphenyl)methoxy]dodecanoic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]dodecanoic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]dodecanoic acid is CCCCCCCCCCC(OCc1cccc(OC)c1)C(=O)O.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]dodecanoic acid?
The InChIKey is PVNPADAQXROUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-10-14-19(20(21)22)24-16-17-12-11-13-18(15-17)23-2/h11-13,15,19H,3-10,14,16H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]dodecanoic acid?
2-[(3-methoxyphenyl)methoxy]dodecanoic acid has a molecular weight of 336.47 g/mol, XLogP of 5.20, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]dodecanoic acid is sourced from PubChem (CID 67004671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).