2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol

C25H28O2 — CID 58819703

IUPAC2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(C)c2cc(C)cc(C)c2OCc2ccccc2)c1
InChIInChI=1S/C25H28O2/c1-16-11-18(3)24(26)22(13-16)20(5)23-14-17(2)12-19(4)25(23)27-15-21-9-7-6-8-10-21/h6-14,20,26H,15H2,1-5H3
InChIKeyTXXAZCUUOQTLGR-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.36
Rot. Bonds5

About 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol

2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol (PubChem CID 58819703) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
PubChem CID58819703
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(C)c2cc(C)cc(C)c2OCc2ccccc2)c1
InChIInChI=1S/C25H28O2/c1-16-11-18(3)24(26)22(13-16)20(5)23-14-17(2)12-19(4)25(23)27-15-21-9-7-6-8-10-21/h6-14,20,26H,15H2,1-5H3
InChIKeyTXXAZCUUOQTLGR-UHFFFAOYSA-N
XLogP6.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-isocyanoethyl)-3,5-dimethyl-2-phenylmethoxybenzene
CID 5038201
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
benzylbenzene;4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]ethyl]-6-methylphenol
CID 91231740
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
1-[3,5-dimethyl-2-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-ol
CID 171366731
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
CID 171244432
2,6-bis[1-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 66868185

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol (CID 58819703) is 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(C)c2cc(C)cc(C)c2OCc2ccccc2)c1.
What is the InChIKey of 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol?
The InChIKey is TXXAZCUUOQTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-16-11-18(3)24(26)22(13-16)20(5)23-14-17(2)12-19(4)25(23)27-15-21-9-7-6-8-10-21/h6-14,20,26H,15H2,1-5H3.
What are the key properties of 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol?
2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol has a molecular weight of 360.50 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol is sourced from PubChem (CID 58819703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).