3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol

C15H22O2 — CID 163105252

IUPAC3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol
SMILESCC1(C)CCCC1(C)c1cc(O)cc(CO)c1
InChIInChI=1S/C15H22O2/c1-14(2)5-4-6-15(14,3)12-7-11(10-16)8-13(17)9-12/h7-9,16-17H,4-6,10H2,1-3H3
InChIKeyNQMYQHBIVGUVOA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds2

About 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol

3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol (PubChem CID 163105252) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol
PubChem CID163105252
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol
SMILESCC1(C)CCCC1(C)c1cc(O)cc(CO)c1
InChIInChI=1S/C15H22O2/c1-14(2)5-4-6-15(14,3)12-7-11(10-16)8-13(17)9-12/h7-9,16-17H,4-6,10H2,1-3H3
InChIKeyNQMYQHBIVGUVOA-UHFFFAOYSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol?
The IUPAC name of 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol (CID 163105252) is 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol.
What is the SMILES notation for 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol?
The canonical SMILES for 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol is CC1(C)CCCC1(C)c1cc(O)cc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol?
The InChIKey is NQMYQHBIVGUVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)5-4-6-15(14,3)12-7-11(10-16)8-13(17)9-12/h7-9,16-17H,4-6,10H2,1-3H3.
What are the key properties of 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol?
3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol has a molecular weight of 234.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-(1,2,2-trimethylcyclopentyl)phenol is sourced from PubChem (CID 163105252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).