4-hexoxy-3,5-dimethoxybenzoic acid

C15H22O5 — CID 10265785

IUPAC4-hexoxy-3,5-dimethoxybenzoic acid
SMILESCCCCCCOc1c(OC)cc(C(=O)O)cc1OC
InChIInChI=1S/C15H22O5/c1-4-5-6-7-8-20-14-12(18-2)9-11(15(16)17)10-13(14)19-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyFFNUCLJFLDGNKC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.36
Rot. Bonds9

About 4-hexoxy-3,5-dimethoxybenzoic acid

4-hexoxy-3,5-dimethoxybenzoic acid (PubChem CID 10265785) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-hexoxy-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-hexoxy-3,5-dimethoxybenzoic acid
PubChem CID10265785
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name4-hexoxy-3,5-dimethoxybenzoic acid
SMILESCCCCCCOc1c(OC)cc(C(=O)O)cc1OC
InChIInChI=1S/C15H22O5/c1-4-5-6-7-8-20-14-12(18-2)9-11(15(16)17)10-13(14)19-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyFFNUCLJFLDGNKC-UHFFFAOYSA-N
XLogP3.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
3,4,5-tri(dotriacontoxy)benzoic acid
CID 175251089
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
3,5-difluoro-4-hexoxybenzoic acid
CID 63183875
3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
3,5-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]benzoic acid
CID 132542510
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
4-(2-ethylsulfonylethoxy)-3,5-dimethoxybenzoic acid
CID 43807853
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-hexoxy-3,5-dimethoxybenzoic acid (CID 10265785) is 4-hexoxy-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-hexoxy-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-hexoxy-3,5-dimethoxybenzoic acid is CCCCCCOc1c(OC)cc(C(=O)O)cc1OC.
What is the InChIKey of 4-hexoxy-3,5-dimethoxybenzoic acid?
The InChIKey is FFNUCLJFLDGNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-5-6-7-8-20-14-12(18-2)9-11(15(16)17)10-13(14)19-3/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-hexoxy-3,5-dimethoxybenzoic acid?
4-hexoxy-3,5-dimethoxybenzoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 10265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).