[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol

C16H18O4 — CID 22071610

IUPAC[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol
SMILESCOC(OC)c1cccc(Oc2ccccc2)c1CO
InChIInChI=1S/C16H18O4/c1-18-16(19-2)13-9-6-10-15(14(13)11-17)20-12-7-4-3-5-8-12/h3-10,16-17H,11H2,1-2H3
InChIKeySDUCDGGZAWKOQC-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.26
Rot. Bonds6

About [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol

[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol (PubChem CID 22071610) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol
PubChem CID22071610
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol
SMILESCOC(OC)c1cccc(Oc2ccccc2)c1CO
InChIInChI=1S/C16H18O4/c1-18-16(19-2)13-9-6-10-15(14(13)11-17)20-12-7-4-3-5-8-12/h3-10,16-17H,11H2,1-2H3
InChIKeySDUCDGGZAWKOQC-UHFFFAOYSA-N
XLogP3.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
(2-chloro-3-phenoxyphenyl)methanol
CID 157201139
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
3-hydroxy-3-(2-methyl-3-phenoxyphenyl)propanenitrile
CID 70587645
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 19042672
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
(1S)-1-(2-phenoxyphenyl)ethane-1,2-diamine
CID 66518149
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
methyl 2-amino-3-(2-fluoro-6-phenoxyphenyl)propanoate
CID 170883557

Frequently Asked Questions

What is the IUPAC name of [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol?
The IUPAC name of [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol (CID 22071610) is [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol.
What is the SMILES notation for [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol?
The canonical SMILES for [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol is COC(OC)c1cccc(Oc2ccccc2)c1CO.
What is the InChIKey of [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol?
The InChIKey is SDUCDGGZAWKOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-16(19-2)13-9-6-10-15(14(13)11-17)20-12-7-4-3-5-8-12/h3-10,16-17H,11H2,1-2H3.
What are the key properties of [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol?
[2-(dimethoxymethyl)-6-phenoxyphenyl]methanol has a molecular weight of 274.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethoxymethyl)-6-phenoxyphenyl]methanol is sourced from PubChem (CID 22071610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).