2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol

C13H16O2 — CID 105456342

IUPAC2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol
SMILESOCC1CC1(c1ccccc1O)C1CC1
InChIInChI=1S/C13H16O2/c14-8-10-7-13(10,9-5-6-9)11-3-1-2-4-12(11)15/h1-4,9-10,14-15H,5-8H2
InChIKeyDBMSZFHJIQSQBK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.05
Rot. Bonds3

About 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol

2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol (PubChem CID 105456342) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol
PubChem CID105456342
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol
SMILESOCC1CC1(c1ccccc1O)C1CC1
InChIInChI=1S/C13H16O2/c14-8-10-7-13(10,9-5-6-9)11-3-1-2-4-12(11)15/h1-4,9-10,14-15H,5-8H2
InChIKeyDBMSZFHJIQSQBK-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol?
The IUPAC name of 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol (CID 105456342) is 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol.
What is the SMILES notation for 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol?
The canonical SMILES for 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol is OCC1CC1(c1ccccc1O)C1CC1.
What is the InChIKey of 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol?
The InChIKey is DBMSZFHJIQSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-8-10-7-13(10,9-5-6-9)11-3-1-2-4-12(11)15/h1-4,9-10,14-15H,5-8H2.
What are the key properties of 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol?
2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol has a molecular weight of 204.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-2-(hydroxymethyl)cyclopropyl]phenol is sourced from PubChem (CID 105456342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).