2-methyl-4,6-bis(phenylmethoxy)phenol

C21H20O3 — CID 11301646

IUPAC2-methyl-4,6-bis(phenylmethoxy)phenol
SMILESCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1O
InChIInChI=1S/C21H20O3/c1-16-12-19(23-14-17-8-4-2-5-9-17)13-20(21(16)22)24-15-18-10-6-3-7-11-18/h2-13,22H,14-15H2,1H3
InChIKeyWDJUSFQCCXXTIQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.86
Rot. Bonds6

About 2-methyl-4,6-bis(phenylmethoxy)phenol

2-methyl-4,6-bis(phenylmethoxy)phenol (PubChem CID 11301646) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-4,6-bis(phenylmethoxy)phenol.

Molecular Properties

Compound Name2-methyl-4,6-bis(phenylmethoxy)phenol
PubChem CID11301646
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-methyl-4,6-bis(phenylmethoxy)phenol
SMILESCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1O
InChIInChI=1S/C21H20O3/c1-16-12-19(23-14-17-8-4-2-5-9-17)13-20(21(16)22)24-15-18-10-6-3-7-11-18/h2-13,22H,14-15H2,1H3
InChIKeyWDJUSFQCCXXTIQ-UHFFFAOYSA-N
XLogP4.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2,6-dimethyl-4-phenylmethoxyphenol;ethane;4-methoxy-3,5-dimethylphenol;2-methoxy-1,3-dimethyl-5-phenylmethoxybenzene;4-phenylmethoxyphenol
CID 157081622
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(phenylmethoxy)phenol?
The IUPAC name of 2-methyl-4,6-bis(phenylmethoxy)phenol (CID 11301646) is 2-methyl-4,6-bis(phenylmethoxy)phenol.
What is the SMILES notation for 2-methyl-4,6-bis(phenylmethoxy)phenol?
The canonical SMILES for 2-methyl-4,6-bis(phenylmethoxy)phenol is Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1O.
What is the InChIKey of 2-methyl-4,6-bis(phenylmethoxy)phenol?
The InChIKey is WDJUSFQCCXXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-16-12-19(23-14-17-8-4-2-5-9-17)13-20(21(16)22)24-15-18-10-6-3-7-11-18/h2-13,22H,14-15H2,1H3.
What are the key properties of 2-methyl-4,6-bis(phenylmethoxy)phenol?
2-methyl-4,6-bis(phenylmethoxy)phenol has a molecular weight of 320.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(phenylmethoxy)phenol is sourced from PubChem (CID 11301646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).