[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol

C18H22O3 — CID 62550020

IUPAC[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
SMILESCOc1cccc(CO)c1OCc1c(C)cc(C)cc1C
InChIInChI=1S/C18H22O3/c1-12-8-13(2)16(14(3)9-12)11-21-18-15(10-19)6-5-7-17(18)20-4/h5-9,19H,10-11H2,1-4H3
InChIKeyIXQPCWJHMJNNEV-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.69
Rot. Bonds5

About [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol

[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol (PubChem CID 62550020) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
PubChem CID62550020
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
SMILESCOc1cccc(CO)c1OCc1c(C)cc(C)cc1C
InChIInChI=1S/C18H22O3/c1-12-8-13(2)16(14(3)9-12)11-21-18-15(10-19)6-5-7-17(18)20-4/h5-9,19H,10-11H2,1-4H3
InChIKeyIXQPCWJHMJNNEV-UHFFFAOYSA-N
XLogP3.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 115956314
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 107698387
[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267114
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 106264377
[3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanol
CID 63021172
[2-(2,2-difluoroethoxy)-3-methoxyphenyl]methanol
CID 60922673
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol (CID 62550020) is [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol is COc1cccc(CO)c1OCc1c(C)cc(C)cc1C.
What is the InChIKey of [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The InChIKey is IXQPCWJHMJNNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-12-8-13(2)16(14(3)9-12)11-21-18-15(10-19)6-5-7-17(18)20-4/h5-9,19H,10-11H2,1-4H3.
What are the key properties of [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol has a molecular weight of 286.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 62550020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).