[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol

C15H22O3 — CID 106204024

IUPAC[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1COCCC1CCC1
InChIInChI=1S/C15H22O3/c1-17-15-6-5-13(10-16)9-14(15)11-18-8-7-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyWJFORMAMBFRLMM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.89
Rot. Bonds7

About [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol

[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol (PubChem CID 106204024) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
PubChem CID106204024
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1COCCC1CCC1
InChIInChI=1S/C15H22O3/c1-17-15-6-5-13(10-16)9-14(15)11-18-8-7-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyWJFORMAMBFRLMM-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
CID 106201082
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106202148
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol?
The IUPAC name of [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol (CID 106204024) is [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol is COc1ccc(CO)cc1COCCC1CCC1.
What is the InChIKey of [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol?
The InChIKey is WJFORMAMBFRLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-17-15-6-5-13(10-16)9-14(15)11-18-8-7-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3.
What are the key properties of [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol?
[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol has a molecular weight of 250.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol is sourced from PubChem (CID 106204024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).