1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol

C13H18O2 — CID 117117351

IUPAC1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol
SMILESCC(C)(O)Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C13H18O2/c1-12(2,14)9-10-3-5-11(6-4-10)13(15)7-8-13/h3-6,14-15H,7-9H2,1-2H3
InChIKeyYNOCWMHZHMOLRM-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.98
Rot. Bonds3

About 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol

1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol (PubChem CID 117117351) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol
PubChem CID117117351
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol
SMILESCC(C)(O)Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C13H18O2/c1-12(2,14)9-10-3-5-11(6-4-10)13(15)7-8-13/h3-6,14-15H,7-9H2,1-2H3
InChIKeyYNOCWMHZHMOLRM-UHFFFAOYSA-N
XLogP1.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol (CID 117117351) is 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol is CC(C)(O)Cc1ccc(C2(O)CC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
The InChIKey is YNOCWMHZHMOLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-12(2,14)9-10-3-5-11(6-4-10)13(15)7-8-13/h3-6,14-15H,7-9H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117117351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).