[4-(diethoxymethyl)phenyl]methanol

C12H18O3 — CID 11063705

IUPAC[4-(diethoxymethyl)phenyl]methanol
SMILESCCOC(OCC)c1ccc(CO)cc1
InChIInChI=1S/C12H18O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyNJIFFRZXYZKPFQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.25
Rot. Bonds6

About [4-(diethoxymethyl)phenyl]methanol

[4-(diethoxymethyl)phenyl]methanol (PubChem CID 11063705) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [4-(diethoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(diethoxymethyl)phenyl]methanol
PubChem CID11063705
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[4-(diethoxymethyl)phenyl]methanol
SMILESCCOC(OCC)c1ccc(CO)cc1
InChIInChI=1S/C12H18O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyNJIFFRZXYZKPFQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride
CID 170891950
2-[4-(diethoxymethyl)phenyl]acetonitrile
CID 170886209
1-(diethoxymethyl)-4-(dimethoxyphosphorylmethyl)benzene
CID 59566341
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
dimethyl 2,2-bis[[4-(diethoxymethyl)phenyl]methyl]propanedioate
CID 21265732
1-(diethoxymethyl)-4-(2-methylprop-1-enyl)benzene
CID 174782098
1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
CID 146004754
4-(diethoxymethyl)pyridine
CID 15389192
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
CID 67327609

Frequently Asked Questions

What is the IUPAC name of [4-(diethoxymethyl)phenyl]methanol?
The IUPAC name of [4-(diethoxymethyl)phenyl]methanol (CID 11063705) is [4-(diethoxymethyl)phenyl]methanol.
What is the SMILES notation for [4-(diethoxymethyl)phenyl]methanol?
The canonical SMILES for [4-(diethoxymethyl)phenyl]methanol is CCOC(OCC)c1ccc(CO)cc1.
What is the InChIKey of [4-(diethoxymethyl)phenyl]methanol?
The InChIKey is NJIFFRZXYZKPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-14-12(15-4-2)11-7-5-10(9-13)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3.
What are the key properties of [4-(diethoxymethyl)phenyl]methanol?
[4-(diethoxymethyl)phenyl]methanol has a molecular weight of 210.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethoxymethyl)phenyl]methanol is sourced from PubChem (CID 11063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).