2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid

C16H24O5 — CID 143268084

IUPAC2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
SMILESCCCCCCOc1c(OC)cc(CC(=O)O)cc1OC
InChIInChI=1S/C16H24O5/c1-4-5-6-7-8-21-16-13(19-2)9-12(11-15(17)18)10-14(16)20-3/h9-10H,4-8,11H2,1-3H3,(H,17,18)
InChIKeyLKWTWWGLUCBVHK-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.29
Rot. Bonds10

About 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid

2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid (PubChem CID 143268084) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
PubChem CID143268084
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
SMILESCCCCCCOc1c(OC)cc(CC(=O)O)cc1OC
InChIInChI=1S/C16H24O5/c1-4-5-6-7-8-21-16-13(19-2)9-12(11-15(17)18)10-14(16)20-3/h9-10H,4-8,11H2,1-3H3,(H,17,18)
InChIKeyLKWTWWGLUCBVHK-UHFFFAOYSA-N
XLogP3.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.29
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
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
(Z)-4-hydroxy-3-[(3,4,5-trioctadecoxyphenyl)methyl]pent-3-en-2-one
CID 102420334
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid
CID 10360531
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
3,4,5-tri(dotriacontoxy)benzoic acid
CID 175251089
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid (CID 143268084) is 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid is CCCCCCOc1c(OC)cc(CC(=O)O)cc1OC.
What is the InChIKey of 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid?
The InChIKey is LKWTWWGLUCBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-4-5-6-7-8-21-16-13(19-2)9-12(11-15(17)18)10-14(16)20-3/h9-10H,4-8,11H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid?
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid has a molecular weight of 296.36 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 143268084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).