2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol

C18H22O2 — CID 173309846

IUPAC2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol
SMILESCc1ccc(CO)c(Cc2ccccc2C(C)(C)O)c1
InChIInChI=1S/C18H22O2/c1-13-8-9-15(12-19)16(10-13)11-14-6-4-5-7-17(14)18(2,3)20/h4-10,19-20H,11-12H2,1-3H3
InChIKeyZQGSHOFYPAPLBD-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.31
Rot. Bonds4

About 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol

2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol (PubChem CID 173309846) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol
PubChem CID173309846
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol
SMILESCc1ccc(CO)c(Cc2ccccc2C(C)(C)O)c1
InChIInChI=1S/C18H22O2/c1-13-8-9-15(12-19)16(10-13)11-14-6-4-5-7-17(14)18(2,3)20/h4-10,19-20H,11-12H2,1-3H3
InChIKeyZQGSHOFYPAPLBD-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol (CID 173309846) is 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol is Cc1ccc(CO)c(Cc2ccccc2C(C)(C)O)c1.
What is the InChIKey of 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol?
The InChIKey is ZQGSHOFYPAPLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-8-9-15(12-19)16(10-13)11-14-6-4-5-7-17(14)18(2,3)20/h4-10,19-20H,11-12H2,1-3H3.
What are the key properties of 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol?
2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 173309846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).