[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol

C18H22O2 — CID 176513454

IUPAC[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
SMILESCOc1ccc(C(C)(C)C)cc1-c1cccc(CO)c1
InChIInChI=1S/C18H22O2/c1-18(2,3)15-8-9-17(20-4)16(11-15)14-7-5-6-13(10-14)12-19/h5-11,19H,12H2,1-4H3
InChIKeyMWDZGFFJPLXNGV-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.15
Rot. Bonds3

About [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol

[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol (PubChem CID 176513454) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
PubChem CID176513454
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
SMILESCOc1ccc(C(C)(C)C)cc1-c1cccc(CO)c1
InChIInChI=1S/C18H22O2/c1-18(2,3)15-8-9-17(20-4)16(11-15)14-7-5-6-13(10-14)12-19/h5-11,19H,12H2,1-4H3
InChIKeyMWDZGFFJPLXNGV-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol?
The IUPAC name of [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol (CID 176513454) is [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol.
What is the SMILES notation for [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol?
The canonical SMILES for [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol is COc1ccc(C(C)(C)C)cc1-c1cccc(CO)c1.
What is the InChIKey of [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol?
The InChIKey is MWDZGFFJPLXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-18(2,3)15-8-9-17(20-4)16(11-15)14-7-5-6-13(10-14)12-19/h5-11,19H,12H2,1-4H3.
What are the key properties of [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol?
[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol has a molecular weight of 270.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol is sourced from PubChem (CID 176513454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).