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

C13H20O4 — CID 62019338

IUPAC[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
SMILESCCOCCOCc1cc(CO)ccc1OC
InChIInChI=1S/C13H20O4/c1-3-16-6-7-17-10-12-8-11(9-14)4-5-13(12)15-2/h4-5,8,14H,3,6-7,9-10H2,1-2H3
InChIKeyNQFRWTSCYUGLQO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.74
Rot. Bonds8

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

[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol (PubChem CID 62019338) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
PubChem CID62019338
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
SMILESCCOCCOCc1cc(CO)ccc1OC
InChIInChI=1S/C13H20O4/c1-3-16-6-7-17-10-12-8-11(9-14)4-5-13(12)15-2/h4-5,8,14H,3,6-7,9-10H2,1-2H3
InChIKeyNQFRWTSCYUGLQO-UHFFFAOYSA-N
XLogP1.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
CID 62019700
[3-[(3,5-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 62785626
[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
3-[[3-(butoxymethyl)-4-methoxyphenyl]methylamino]propan-1-ol
CID 90741984

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol?
The IUPAC name of [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol (CID 62019338) is [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol is CCOCCOCc1cc(CO)ccc1OC.
What is the InChIKey of [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol?
The InChIKey is NQFRWTSCYUGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-16-6-7-17-10-12-8-11(9-14)4-5-13(12)15-2/h4-5,8,14H,3,6-7,9-10H2,1-2H3.
What are the key properties of [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol?
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol has a molecular weight of 240.30 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol is sourced from PubChem (CID 62019338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).