2-phenoxy-3-propoxybenzoic acid

C16H16O4 — CID 67826110

IUPAC2-phenoxy-3-propoxybenzoic acid
SMILESCCCOc1cccc(C(=O)O)c1Oc1ccccc1
InChIInChI=1S/C16H16O4/c1-2-11-19-14-10-6-9-13(16(17)18)15(14)20-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyWYJRDPLSJKHELC-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.97
Rot. Bonds6

About 2-phenoxy-3-propoxybenzoic acid

2-phenoxy-3-propoxybenzoic acid (PubChem CID 67826110) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-phenoxy-3-propoxybenzoic acid.

Molecular Properties

Compound Name2-phenoxy-3-propoxybenzoic acid
PubChem CID67826110
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-phenoxy-3-propoxybenzoic acid
SMILESCCCOc1cccc(C(=O)O)c1Oc1ccccc1
InChIInChI=1S/C16H16O4/c1-2-11-19-14-10-6-9-13(16(17)18)15(14)20-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyWYJRDPLSJKHELC-UHFFFAOYSA-N
XLogP3.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxoethoxy)-2-phenoxybenzoic acid
CID 88992897
2,3-diphenoxybenzoic acid;heptane-3,5-diol
CID 175439246
3-butoxy-2-methoxybenzoic acid
CID 82161610
2-(3-propoxyanilino)benzoic acid
CID 154130973
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
2-butoxybenzoic acid;carbonic acid
CID 137455653
3-tert-butyl-4-dodecoxy-2-phenoxybenzoic acid
CID 67942975
2-(3-propoxybenzoyl)oxybenzoic acid
CID 54854800
3-(2-propoxybenzoyl)oxybenzoic acid
CID 54854771
2-pentoxybenzoic acid;hydrochloride
CID 70416265
phenyl-(2-propoxyphenyl)methanone
CID 15556308
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-propoxybenzoic acid?
The IUPAC name of 2-phenoxy-3-propoxybenzoic acid (CID 67826110) is 2-phenoxy-3-propoxybenzoic acid.
What is the SMILES notation for 2-phenoxy-3-propoxybenzoic acid?
The canonical SMILES for 2-phenoxy-3-propoxybenzoic acid is CCCOc1cccc(C(=O)O)c1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-3-propoxybenzoic acid?
The InChIKey is WYJRDPLSJKHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-11-19-14-10-6-9-13(16(17)18)15(14)20-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-phenoxy-3-propoxybenzoic acid?
2-phenoxy-3-propoxybenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-propoxybenzoic acid is sourced from PubChem (CID 67826110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).