3-chloro-1,2,8,8a-tetrahydroazulen-2-ol

C10H11ClO — CID 130129391

IUPAC3-chloro-1,2,8,8a-tetrahydroazulen-2-ol
SMILESOC1CC2CC=CC=CC2=C1Cl
InChIInChI=1S/C10H11ClO/c11-10-8-5-3-1-2-4-7(8)6-9(10)12/h1-3,5,7,9,12H,4,6H2
InChIKeyOLHXRXCNVYXVLP-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.38
Rot. Bonds

About 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol

3-chloro-1,2,8,8a-tetrahydroazulen-2-ol (PubChem CID 130129391) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol.

Molecular Properties

Compound Name3-chloro-1,2,8,8a-tetrahydroazulen-2-ol
PubChem CID130129391
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name3-chloro-1,2,8,8a-tetrahydroazulen-2-ol
SMILESOC1CC2CC=CC=CC2=C1Cl
InChIInChI=1S/C10H11ClO/c11-10-8-5-3-1-2-4-7(8)6-9(10)12/h1-3,5,7,9,12H,4,6H2
InChIKeyOLHXRXCNVYXVLP-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol?
The IUPAC name of 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol (CID 130129391) is 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol.
What is the SMILES notation for 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol?
The canonical SMILES for 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol is OC1CC2CC=CC=CC2=C1Cl.
What is the InChIKey of 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol?
The InChIKey is OLHXRXCNVYXVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-10-8-5-3-1-2-4-7(8)6-9(10)12/h1-3,5,7,9,12H,4,6H2.
What are the key properties of 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol?
3-chloro-1,2,8,8a-tetrahydroazulen-2-ol has a molecular weight of 182.65 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,8,8a-tetrahydroazulen-2-ol is sourced from PubChem (CID 130129391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).