2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol

C25H28O2 — CID 87308555

IUPAC2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol
SMILESCOc1c(CCc2cccc(C(C)(C)C)c2O)cccc1-c1ccccc1
InChIInChI=1S/C25H28O2/c1-25(2,3)22-15-9-12-19(23(22)26)16-17-20-13-8-14-21(24(20)27-4)18-10-6-5-7-11-18/h5-15,26H,16-17H2,1-4H3
InChIKeyVTXJXASUNRECBF-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.15
Rot. Bonds5

About 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol

2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol (PubChem CID 87308555) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol
PubChem CID87308555
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol
SMILESCOc1c(CCc2cccc(C(C)(C)C)c2O)cccc1-c1ccccc1
InChIInChI=1S/C25H28O2/c1-25(2,3)22-15-9-12-19(23(22)26)16-17-20-13-8-14-21(24(20)27-4)18-10-6-5-7-11-18/h5-15,26H,16-17H2,1-4H3
InChIKeyVTXJXASUNRECBF-UHFFFAOYSA-N
XLogP6.15
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 ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol (CID 87308555) is 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol is COc1c(CCc2cccc(C(C)(C)C)c2O)cccc1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol?
The InChIKey is VTXJXASUNRECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-25(2,3)22-15-9-12-19(23(22)26)16-17-20-13-8-14-21(24(20)27-4)18-10-6-5-7-11-18/h5-15,26H,16-17H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol?
2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol has a molecular weight of 360.50 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(2-methoxy-3-phenylphenyl)ethyl]phenol is sourced from PubChem (CID 87308555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).