3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid

C18H20O5 — CID 142698609

IUPAC3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
SMILESCCCc1ccc(Oc2cc(C(=O)O)cc(OC)c2OC)cc1
InChIInChI=1S/C18H20O5/c1-4-5-12-6-8-14(9-7-12)23-16-11-13(18(19)20)10-15(21-2)17(16)22-3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyADBWUJQWXRTPMT-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.15
Rot. Bonds7

About 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid

3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid (PubChem CID 142698609) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid.

Molecular Properties

Compound Name3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
PubChem CID142698609
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
SMILESCCCc1ccc(Oc2cc(C(=O)O)cc(OC)c2OC)cc1
InChIInChI=1S/C18H20O5/c1-4-5-12-6-8-14(9-7-12)23-16-11-13(18(19)20)10-15(21-2)17(16)22-3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyADBWUJQWXRTPMT-UHFFFAOYSA-N
XLogP4.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butylphenoxy)-4,5-dimethoxybenzoic acid
CID 142698612
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
2-[ethyl(2-phenylethyl)amino]ethanol;3,4,5-trimethoxybenzoic acid
CID 21152650
(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone
CID 166522819
ethane;4-propylbenzoic acid
CID 91047964
pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833884
3-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzoic acid
CID 20991840
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid?
The IUPAC name of 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid (CID 142698609) is 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid.
What is the SMILES notation for 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid?
The canonical SMILES for 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid is CCCc1ccc(Oc2cc(C(=O)O)cc(OC)c2OC)cc1.
What is the InChIKey of 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid?
The InChIKey is ADBWUJQWXRTPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-4-5-12-6-8-14(9-7-12)23-16-11-13(18(19)20)10-15(21-2)17(16)22-3/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid?
3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid has a molecular weight of 316.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid is sourced from PubChem (CID 142698609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).