1,4-dimethyl-7-propan-2-ylazulen-2-ol

C15H18O — CID 611841

IUPAC1,4-dimethyl-7-propan-2-ylazulen-2-ol
SMILESCc1ccc(C(C)C)cc2c(C)c(O)cc1-2
InChIInChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h5-9,16H,1-4H3
InChIKeyGYTYRDSGJDMKCK-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.24
Rot. Bonds1

About 1,4-dimethyl-7-propan-2-ylazulen-2-ol

1,4-dimethyl-7-propan-2-ylazulen-2-ol (PubChem CID 611841) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,4-dimethyl-7-propan-2-ylazulen-2-ol.

Molecular Properties

Compound Name1,4-dimethyl-7-propan-2-ylazulen-2-ol
PubChem CID611841
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1,4-dimethyl-7-propan-2-ylazulen-2-ol
SMILESCc1ccc(C(C)C)cc2c(C)c(O)cc1-2
InChIInChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h5-9,16H,1-4H3
InChIKeyGYTYRDSGJDMKCK-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-propan-2-ylazulen-2-ol?
The IUPAC name of 1,4-dimethyl-7-propan-2-ylazulen-2-ol (CID 611841) is 1,4-dimethyl-7-propan-2-ylazulen-2-ol.
What is the SMILES notation for 1,4-dimethyl-7-propan-2-ylazulen-2-ol?
The canonical SMILES for 1,4-dimethyl-7-propan-2-ylazulen-2-ol is Cc1ccc(C(C)C)cc2c(C)c(O)cc1-2.
What is the InChIKey of 1,4-dimethyl-7-propan-2-ylazulen-2-ol?
The InChIKey is GYTYRDSGJDMKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)14(13)7-12/h5-9,16H,1-4H3.
What are the key properties of 1,4-dimethyl-7-propan-2-ylazulen-2-ol?
1,4-dimethyl-7-propan-2-ylazulen-2-ol has a molecular weight of 214.31 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-propan-2-ylazulen-2-ol is sourced from PubChem (CID 611841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).