5-(1-hydroxydodecyl)-2-methoxyphenol

C19H32O3 — CID 139789005

IUPAC5-(1-hydroxydodecyl)-2-methoxyphenol
SMILESCCCCCCCCCCCC(O)c1ccc(OC)c(O)c1
InChIInChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-17(20)16-13-14-19(22-2)18(21)15-16/h13-15,17,20-21H,3-12H2,1-2H3
InChIKeyJBMMUJNKITUZCC-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.36
Rot. Bonds12

About 5-(1-hydroxydodecyl)-2-methoxyphenol

5-(1-hydroxydodecyl)-2-methoxyphenol (PubChem CID 139789005) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 5-(1-hydroxydodecyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(1-hydroxydodecyl)-2-methoxyphenol
PubChem CID139789005
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name5-(1-hydroxydodecyl)-2-methoxyphenol
SMILESCCCCCCCCCCCC(O)c1ccc(OC)c(O)c1
InChIInChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-17(20)16-13-14-19(22-2)18(21)15-16/h13-15,17,20-21H,3-12H2,1-2H3
InChIKeyJBMMUJNKITUZCC-UHFFFAOYSA-N
XLogP5.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.36
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

4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxydodecyl)-2-methoxyphenol?
The IUPAC name of 5-(1-hydroxydodecyl)-2-methoxyphenol (CID 139789005) is 5-(1-hydroxydodecyl)-2-methoxyphenol.
What is the SMILES notation for 5-(1-hydroxydodecyl)-2-methoxyphenol?
The canonical SMILES for 5-(1-hydroxydodecyl)-2-methoxyphenol is CCCCCCCCCCCC(O)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-(1-hydroxydodecyl)-2-methoxyphenol?
The InChIKey is JBMMUJNKITUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-17(20)16-13-14-19(22-2)18(21)15-16/h13-15,17,20-21H,3-12H2,1-2H3.
What are the key properties of 5-(1-hydroxydodecyl)-2-methoxyphenol?
5-(1-hydroxydodecyl)-2-methoxyphenol has a molecular weight of 308.46 g/mol, XLogP of 5.36, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxydodecyl)-2-methoxyphenol is sourced from PubChem (CID 139789005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).