2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol

C22H30O2 — CID 11290338

IUPAC2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(-c2ccccc2OC)c(O)c1
InChIInChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3
InChIKeyWXRCAYBWSXUGLS-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.32
Rot. Bonds8

About 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol

2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol (PubChem CID 11290338) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol
PubChem CID11290338
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(-c2ccccc2OC)c(O)c1
InChIInChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3
InChIKeyWXRCAYBWSXUGLS-UHFFFAOYSA-N
XLogP6.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol (CID 11290338) is 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc(-c2ccccc2OC)c(O)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol?
The InChIKey is WXRCAYBWSXUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol?
2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol has a molecular weight of 326.48 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 11290338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).