3-(hydroxymethyl)-4-nonoxyphenol

C16H26O3 — CID 14278819

IUPAC3-(hydroxymethyl)-4-nonoxyphenol
SMILESCCCCCCCCCOc1ccc(O)cc1CO
InChIInChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17/h9-10,12,17-18H,2-8,11,13H2,1H3
InChIKeySJOLDTLNSFSZRN-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.01
Rot. Bonds10

About 3-(hydroxymethyl)-4-nonoxyphenol

3-(hydroxymethyl)-4-nonoxyphenol (PubChem CID 14278819) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-nonoxyphenol.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-nonoxyphenol
PubChem CID14278819
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-(hydroxymethyl)-4-nonoxyphenol
SMILESCCCCCCCCCOc1ccc(O)cc1CO
InChIInChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17/h9-10,12,17-18H,2-8,11,13H2,1H3
InChIKeySJOLDTLNSFSZRN-UHFFFAOYSA-N
XLogP4.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.01
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

(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
4-nonoxybenzene-1,3-diol
CID 66563301
(2-octoxyphenyl)methanol
CID 43128604
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
(2,4-dipentoxyphenyl)methanol
CID 54794877
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
1,4,5,8-tetrahexoxyanthracene
CID 101142141
ethane-1,2-diol;ethene;4-(4-hydroxy-2-nonylphenoxy)-3-nonylphenol
CID 70258272
1,2,4,5-tetrakis-decoxybenzene
CID 10556791

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-nonoxyphenol?
The IUPAC name of 3-(hydroxymethyl)-4-nonoxyphenol (CID 14278819) is 3-(hydroxymethyl)-4-nonoxyphenol.
What is the SMILES notation for 3-(hydroxymethyl)-4-nonoxyphenol?
The canonical SMILES for 3-(hydroxymethyl)-4-nonoxyphenol is CCCCCCCCCOc1ccc(O)cc1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-nonoxyphenol?
The InChIKey is SJOLDTLNSFSZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17/h9-10,12,17-18H,2-8,11,13H2,1H3.
What are the key properties of 3-(hydroxymethyl)-4-nonoxyphenol?
3-(hydroxymethyl)-4-nonoxyphenol has a molecular weight of 266.38 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-nonoxyphenol is sourced from PubChem (CID 14278819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).