6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol

C24H22O — CID 21063090

IUPAC6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol
SMILESCc1c2ccc(-c3c(C)c4cccccc-4c3C)ccc-2c(C)c1O
InChIInChI=1S/C24H22O/c1-14-19-8-6-5-7-9-20(19)15(2)23(14)18-10-12-21-16(3)24(25)17(4)22(21)13-11-18/h5-13,25H,1-4H3
InChIKeyUDSWYXZQQTXTMT-UHFFFAOYSA-N
MW326.44 g/mol
LogP6.50
Rot. Bonds1

About 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol

6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol (PubChem CID 21063090) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol.

Molecular Properties

Compound Name6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol
PubChem CID21063090
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol
SMILESCc1c2ccc(-c3c(C)c4cccccc-4c3C)ccc-2c(C)c1O
InChIInChI=1S/C24H22O/c1-14-19-8-6-5-7-9-20(19)15(2)23(14)18-10-12-21-16(3)24(25)17(4)22(21)13-11-18/h5-13,25H,1-4H3
InChIKeyUDSWYXZQQTXTMT-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol?
The IUPAC name of 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol (CID 21063090) is 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol.
What is the SMILES notation for 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol?
The canonical SMILES for 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol is Cc1c2ccc(-c3c(C)c4cccccc-4c3C)ccc-2c(C)c1O.
What is the InChIKey of 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol?
The InChIKey is UDSWYXZQQTXTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O/c1-14-19-8-6-5-7-9-20(19)15(2)23(14)18-10-12-21-16(3)24(25)17(4)22(21)13-11-18/h5-13,25H,1-4H3.
What are the key properties of 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol?
6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol has a molecular weight of 326.44 g/mol, XLogP of 6.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol is sourced from PubChem (CID 21063090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).