6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid

C14H20O5 — CID 67259239

IUPAC6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
SMILESCOc1cc(OCCCCCC(=O)O)ccc1CO
InChIInChI=1S/C14H20O5/c1-18-13-9-12(7-6-11(13)10-15)19-8-4-2-3-5-14(16)17/h6-7,9,15H,2-5,8,10H2,1H3,(H,16,17)
InChIKeyWIRXLUOGFMRKEE-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds9

About 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid

6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid (PubChem CID 67259239) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
PubChem CID67259239
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
SMILESCOc1cc(OCCCCCC(=O)O)ccc1CO
InChIInChI=1S/C14H20O5/c1-18-13-9-12(7-6-11(13)10-15)19-8-4-2-3-5-14(16)17/h6-7,9,15H,2-5,8,10H2,1H3,(H,16,17)
InChIKeyWIRXLUOGFMRKEE-UHFFFAOYSA-N
XLogP2.21
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-amino-3-hydroxypropyl)-3-methoxyphenoxy]butanoic acid;hydrochloride
CID 170892521
5-(4-cyano-3-methoxyphenoxy)pentanoic acid
CID 123565317
N-(2,2-dimethylpropyl)-4-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 118552944
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
6-[2-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 150742680
(2,4-dipentoxyphenyl)methanol
CID 54794877
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid?
The IUPAC name of 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid (CID 67259239) is 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid.
What is the SMILES notation for 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid?
The canonical SMILES for 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid is COc1cc(OCCCCCC(=O)O)ccc1CO.
What is the InChIKey of 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid?
The InChIKey is WIRXLUOGFMRKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-18-13-9-12(7-6-11(13)10-15)19-8-4-2-3-5-14(16)17/h6-7,9,15H,2-5,8,10H2,1H3,(H,16,17).
What are the key properties of 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid?
6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid is sourced from PubChem (CID 67259239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).