4-(1-hydroxyheptyl)-2-methoxyphenol

C14H22O3 — CID 14035097

IUPAC4-(1-hydroxyheptyl)-2-methoxyphenol
SMILESCCCCCCC(O)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O3/c1-3-4-5-6-7-12(15)11-8-9-13(16)14(10-11)17-2/h8-10,12,15-16H,3-7H2,1-2H3
InChIKeyUZCIASWPALGCFX-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.40
Rot. Bonds7

About 4-(1-hydroxyheptyl)-2-methoxyphenol

4-(1-hydroxyheptyl)-2-methoxyphenol (PubChem CID 14035097) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(1-hydroxyheptyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1-hydroxyheptyl)-2-methoxyphenol
PubChem CID14035097
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(1-hydroxyheptyl)-2-methoxyphenol
SMILESCCCCCCC(O)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O3/c1-3-4-5-6-7-12(15)11-8-9-13(16)14(10-11)17-2/h8-10,12,15-16H,3-7H2,1-2H3
InChIKeyUZCIASWPALGCFX-UHFFFAOYSA-N
XLogP3.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-hydroxyheptyl)-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-hydroxydodecyl)-2-methoxyphenol
CID 139789005
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
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
4-hexan-2-yl-2-methoxyphenol
CID 10285881
N-hydroxy-2-(4-hydroxy-3-methoxyphenyl)decanamide
CID 123800302
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
CID 57346587

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyheptyl)-2-methoxyphenol?
The IUPAC name of 4-(1-hydroxyheptyl)-2-methoxyphenol (CID 14035097) is 4-(1-hydroxyheptyl)-2-methoxyphenol.
What is the SMILES notation for 4-(1-hydroxyheptyl)-2-methoxyphenol?
The canonical SMILES for 4-(1-hydroxyheptyl)-2-methoxyphenol is CCCCCCC(O)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-(1-hydroxyheptyl)-2-methoxyphenol?
The InChIKey is UZCIASWPALGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-4-5-6-7-12(15)11-8-9-13(16)14(10-11)17-2/h8-10,12,15-16H,3-7H2,1-2H3.
What are the key properties of 4-(1-hydroxyheptyl)-2-methoxyphenol?
4-(1-hydroxyheptyl)-2-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyheptyl)-2-methoxyphenol is sourced from PubChem (CID 14035097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).