1H-cyclopropa[e]azulen-4-ol

C11H8O — CID 118978181

IUPAC1H-cyclopropa[e]azulen-4-ol
SMILESOc1ccc2c(c3cccc1-3)C2
InChIInChI=1S/C11H8O/c12-11-5-4-7-6-10(7)8-2-1-3-9(8)11/h1-5,12H,6H2
InChIKeySPNFHMLVXCPEFS-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.40
Rot. Bonds

About 1H-cyclopropa[e]azulen-4-ol

1H-cyclopropa[e]azulen-4-ol (PubChem CID 118978181) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is 1H-cyclopropa[e]azulen-4-ol.

Molecular Properties

Compound Name1H-cyclopropa[e]azulen-4-ol
PubChem CID118978181
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Name1H-cyclopropa[e]azulen-4-ol
SMILESOc1ccc2c(c3cccc1-3)C2
InChIInChI=1S/C11H8O/c12-11-5-4-7-6-10(7)8-2-1-3-9(8)11/h1-5,12H,6H2
InChIKeySPNFHMLVXCPEFS-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxyazulene
CID 11788361
Azulenalkohol
CID 14446361
7-Isopropyl-1,4-dimethyl-2-azulenol
CID 611841
Azulen-4-ol
CID 22376724
1-Hydroxy-methylazulene
CID 85785826
1h-Cycloprop[e]azulen-7-ol
CID 129761261
4-[(3-Methylazulen-1-yl)methyl]phenol
CID 10514709
6-Hydroxyazulene-1-carbonitrile
CID 10749648
3,8-Dimethylazulen-4-ol
CID 11557365
6-Octylazulen-2-ol
CID 11817720
1,5-Dihydroxy-4,6,8-trimethylazulene
CID 101618055
Azulene-1,2-diol
CID 12588025

Frequently Asked Questions

What is the IUPAC name of 1H-cyclopropa[e]azulen-4-ol?
The IUPAC name of 1H-cyclopropa[e]azulen-4-ol (CID 118978181) is 1H-cyclopropa[e]azulen-4-ol.
What is the SMILES notation for 1H-cyclopropa[e]azulen-4-ol?
The canonical SMILES for 1H-cyclopropa[e]azulen-4-ol is Oc1ccc2c(c3cccc1-3)C2.
What is the InChIKey of 1H-cyclopropa[e]azulen-4-ol?
The InChIKey is SPNFHMLVXCPEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c12-11-5-4-7-6-10(7)8-2-1-3-9(8)11/h1-5,12H,6H2.
What are the key properties of 1H-cyclopropa[e]azulen-4-ol?
1H-cyclopropa[e]azulen-4-ol has a molecular weight of 156.18 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopropa[e]azulen-4-ol is sourced from PubChem (CID 118978181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).