1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol

C13H18O2 — CID 117294984

IUPAC1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(O)Cc1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C13H18O2/c1-10(14)8-11-2-4-12(5-3-11)9-13(15)6-7-13/h2-5,10,14-15H,6-9H2,1H3
InChIKeyIOGJWTGLUPYHQO-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.68
Rot. Bonds4

About 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol

1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117294984) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117294984
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(O)Cc1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C13H18O2/c1-10(14)8-11-2-4-12(5-3-11)9-13(15)6-7-13/h2-5,10,14-15H,6-9H2,1H3
InChIKeyIOGJWTGLUPYHQO-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol (CID 117294984) is 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol is CC(O)Cc1ccc(CC2(O)CC2)cc1.
What is the InChIKey of 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is IOGJWTGLUPYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)8-11-2-4-12(5-3-11)9-13(15)6-7-13/h2-5,10,14-15H,6-9H2,1H3.
What are the key properties of 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxypropyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117294984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).