8-(4-hydroxy-3-methoxyphenyl)octanoic acid

C15H22O4 — CID 25005890

IUPAC8-(4-hydroxy-3-methoxyphenyl)octanoic acid
SMILESCOc1cc(CCCCCCCC(=O)O)ccc1O
InChIInChI=1S/C15H22O4/c1-19-14-11-12(9-10-13(14)16)7-5-3-2-4-6-8-15(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyGDIWIBRUELXHOU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.37
Rot. Bonds9

About 8-(4-hydroxy-3-methoxyphenyl)octanoic acid

8-(4-hydroxy-3-methoxyphenyl)octanoic acid (PubChem CID 25005890) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-(4-hydroxy-3-methoxyphenyl)octanoic acid.

Molecular Properties

Compound Name8-(4-hydroxy-3-methoxyphenyl)octanoic acid
PubChem CID25005890
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name8-(4-hydroxy-3-methoxyphenyl)octanoic acid
SMILESCOc1cc(CCCCCCCC(=O)O)ccc1O
InChIInChI=1S/C15H22O4/c1-19-14-11-12(9-10-13(14)16)7-5-3-2-4-6-8-15(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyGDIWIBRUELXHOU-UHFFFAOYSA-N
XLogP3.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
12-(4-hydroxy-3-methoxyphenyl)-10-oxododec-8-enoic acid
CID 85050083
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
5-[3-(difluoromethoxy)-4-methoxyphenyl]pentanoic acid
CID 114193865
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
CID 175936648
CID 175936648

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-3-methoxyphenyl)octanoic acid?
The IUPAC name of 8-(4-hydroxy-3-methoxyphenyl)octanoic acid (CID 25005890) is 8-(4-hydroxy-3-methoxyphenyl)octanoic acid.
What is the SMILES notation for 8-(4-hydroxy-3-methoxyphenyl)octanoic acid?
The canonical SMILES for 8-(4-hydroxy-3-methoxyphenyl)octanoic acid is COc1cc(CCCCCCCC(=O)O)ccc1O.
What is the InChIKey of 8-(4-hydroxy-3-methoxyphenyl)octanoic acid?
The InChIKey is GDIWIBRUELXHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-19-14-11-12(9-10-13(14)16)7-5-3-2-4-6-8-15(17)18/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 8-(4-hydroxy-3-methoxyphenyl)octanoic acid?
8-(4-hydroxy-3-methoxyphenyl)octanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-3-methoxyphenyl)octanoic acid is sourced from PubChem (CID 25005890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).