3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol

C13H18O2 — CID 117117625

IUPAC3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol
SMILESOCCCc1cccc(C2(CO)CC2)c1
InChIInChI=1S/C13H18O2/c14-8-2-4-11-3-1-5-12(9-11)13(10-15)6-7-13/h1,3,5,9,14-15H,2,4,6-8,10H2
InChIKeyPWSXNKNXXUSFCA-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.64
Rot. Bonds5

About 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol

3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol (PubChem CID 117117625) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol
PubChem CID117117625
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol
SMILESOCCCc1cccc(C2(CO)CC2)c1
InChIInChI=1S/C13H18O2/c14-8-2-4-11-3-1-5-12(9-11)13(10-15)6-7-13/h1,3,5,9,14-15H,2,4,6-8,10H2
InChIKeyPWSXNKNXXUSFCA-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol (CID 117117625) is 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol is OCCCc1cccc(C2(CO)CC2)c1.
What is the InChIKey of 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol?
The InChIKey is PWSXNKNXXUSFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-8-2-4-11-3-1-5-12(9-11)13(10-15)6-7-13/h1,3,5,9,14-15H,2,4,6-8,10H2.
What are the key properties of 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol?
3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]propan-1-ol is sourced from PubChem (CID 117117625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).