2-benzylcycloprop-2-en-1-ol

C10H10O — CID 18539682

IUPAC2-benzylcycloprop-2-en-1-ol
SMILESOC1C=C1Cc1ccccc1
InChIInChI=1S/C10H10O/c11-10-7-9(10)6-8-4-2-1-3-5-8/h1-5,7,10-11H,6H2
InChIKeyCEKDRSPHXXSERS-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.53
Rot. Bonds2

About 2-benzylcycloprop-2-en-1-ol

2-benzylcycloprop-2-en-1-ol (PubChem CID 18539682) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-benzylcycloprop-2-en-1-ol.

Molecular Properties

Compound Name2-benzylcycloprop-2-en-1-ol
PubChem CID18539682
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name2-benzylcycloprop-2-en-1-ol
SMILESOC1C=C1Cc1ccccc1
InChIInChI=1S/C10H10O/c11-10-7-9(10)6-8-4-2-1-3-5-8/h1-5,7,10-11H,6H2
InChIKeyCEKDRSPHXXSERS-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylcycloprop-2-en-1-ol?
The IUPAC name of 2-benzylcycloprop-2-en-1-ol (CID 18539682) is 2-benzylcycloprop-2-en-1-ol.
What is the SMILES notation for 2-benzylcycloprop-2-en-1-ol?
The canonical SMILES for 2-benzylcycloprop-2-en-1-ol is OC1C=C1Cc1ccccc1.
What is the InChIKey of 2-benzylcycloprop-2-en-1-ol?
The InChIKey is CEKDRSPHXXSERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c11-10-7-9(10)6-8-4-2-1-3-5-8/h1-5,7,10-11H,6H2.
What are the key properties of 2-benzylcycloprop-2-en-1-ol?
2-benzylcycloprop-2-en-1-ol has a molecular weight of 146.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylcycloprop-2-en-1-ol is sourced from PubChem (CID 18539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).