2-(3-methoxy-4-pentoxyphenyl)acetic acid

C14H20O4 — CID 7139436

IUPAC2-(3-methoxy-4-pentoxyphenyl)acetic acid
SMILESCCCCCOc1ccc(CC(=O)O)cc1OC
InChIInChI=1S/C14H20O4/c1-3-4-5-8-18-12-7-6-11(10-14(15)16)9-13(12)17-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyWGUHTDFXPWITSK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.89
Rot. Bonds8

About 2-(3-methoxy-4-pentoxyphenyl)acetic acid

2-(3-methoxy-4-pentoxyphenyl)acetic acid (PubChem CID 7139436) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-methoxy-4-pentoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-pentoxyphenyl)acetic acid
PubChem CID7139436
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-(3-methoxy-4-pentoxyphenyl)acetic acid
SMILESCCCCCOc1ccc(CC(=O)O)cc1OC
InChIInChI=1S/C14H20O4/c1-3-4-5-8-18-12-7-6-11(10-14(15)16)9-13(12)17-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyWGUHTDFXPWITSK-UHFFFAOYSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
2-(3-methoxy-4-tetradecoxyphenyl)acetyl chloride
CID 19015065
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
methyl 2-(3,4-dioctoxyphenyl)acetate
CID 22938281
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663
4-(3,4-dihexadecoxyphenyl)butanoic acid
CID 70560889
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide
CID 19015833

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pentoxyphenyl)acetic acid?
The IUPAC name of 2-(3-methoxy-4-pentoxyphenyl)acetic acid (CID 7139436) is 2-(3-methoxy-4-pentoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-methoxy-4-pentoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-methoxy-4-pentoxyphenyl)acetic acid is CCCCCOc1ccc(CC(=O)O)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-pentoxyphenyl)acetic acid?
The InChIKey is WGUHTDFXPWITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-4-5-8-18-12-7-6-11(10-14(15)16)9-13(12)17-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-methoxy-4-pentoxyphenyl)acetic acid?
2-(3-methoxy-4-pentoxyphenyl)acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pentoxyphenyl)acetic acid is sourced from PubChem (CID 7139436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).