3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol

C19H24O3 — CID 139596843

IUPAC3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol
SMILESCCOc1ccc(C(C)(C)COCc2cccc(O)c2)cc1
InChIInChI=1S/C19H24O3/c1-4-22-18-10-8-16(9-11-18)19(2,3)14-21-13-15-6-5-7-17(20)12-15/h5-12,20H,4,13-14H2,1-3H3
InChIKeyQVRFIAXQXKODFV-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.29
Rot. Bonds7

About 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol

3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol (PubChem CID 139596843) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol
PubChem CID139596843
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol
SMILESCCOc1ccc(C(C)(C)COCc2cccc(O)c2)cc1
InChIInChI=1S/C19H24O3/c1-4-22-18-10-8-16(9-11-18)19(2,3)14-21-13-15-6-5-7-17(20)12-15/h5-12,20H,4,13-14H2,1-3H3
InChIKeyQVRFIAXQXKODFV-UHFFFAOYSA-N
XLogP4.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol?
The IUPAC name of 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol (CID 139596843) is 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol.
What is the SMILES notation for 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol?
The canonical SMILES for 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol is CCOc1ccc(C(C)(C)COCc2cccc(O)c2)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol?
The InChIKey is QVRFIAXQXKODFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-22-18-10-8-16(9-11-18)19(2,3)14-21-13-15-6-5-7-17(20)12-15/h5-12,20H,4,13-14H2,1-3H3.
What are the key properties of 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol?
3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenol is sourced from PubChem (CID 139596843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).