3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid

C19H22O5 — CID 66921158

IUPAC3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid
SMILESCCC(OC)Oc1cc(OCc2ccccc2C)cc(C(=O)O)c1
InChIInChI=1S/C19H22O5/c1-4-18(22-3)24-17-10-15(19(20)21)9-16(11-17)23-12-14-8-6-5-7-13(14)2/h5-11,18H,4,12H2,1-3H3,(H,20,21)
InChIKeyMASMRNPOMGLIOD-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.03
Rot. Bonds8

About 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid

3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid (PubChem CID 66921158) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid
PubChem CID66921158
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid
SMILESCCC(OC)Oc1cc(OCc2ccccc2C)cc(C(=O)O)c1
InChIInChI=1S/C19H22O5/c1-4-18(22-3)24-17-10-15(19(20)21)9-16(11-17)23-12-14-8-6-5-7-13(14)2/h5-11,18H,4,12H2,1-3H3,(H,20,21)
InChIKeyMASMRNPOMGLIOD-UHFFFAOYSA-N
XLogP4.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
3-(3,5-difluorophenoxy)-5-(1-methoxypropoxy)benzoic acid
CID 66921251
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
CID 67484587
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethenamine
CID 142213579
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
3-ethoxy-5-pentan-3-yloxybenzoic acid
CID 21062026
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene
CID 141165604
acetylene;1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone;N-(2-methylprop-1-enyl)propan-2-imine
CID 142213590

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid (CID 66921158) is 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid is CCC(OC)Oc1cc(OCc2ccccc2C)cc(C(=O)O)c1.
What is the InChIKey of 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid?
The InChIKey is MASMRNPOMGLIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-18(22-3)24-17-10-15(19(20)21)9-16(11-17)23-12-14-8-6-5-7-13(14)2/h5-11,18H,4,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid?
3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid has a molecular weight of 330.38 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropoxy)-5-[(2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 66921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).