2-(3,8-dimethylazulen-5-yl)propan-2-ol

C15H18O — CID 14293202

IUPAC2-(3,8-dimethylazulen-5-yl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)cc2c(C)ccc1-2
InChIInChI=1S/C15H18O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h5-9,16H,1-4H3
InChIKeyHLNFZQARCCPCSK-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.64
Rot. Bonds1

About 2-(3,8-dimethylazulen-5-yl)propan-2-ol

2-(3,8-dimethylazulen-5-yl)propan-2-ol (PubChem CID 14293202) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3,8-dimethylazulen-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,8-dimethylazulen-5-yl)propan-2-ol
PubChem CID14293202
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(3,8-dimethylazulen-5-yl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)cc2c(C)ccc1-2
InChIInChI=1S/C15H18O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h5-9,16H,1-4H3
InChIKeyHLNFZQARCCPCSK-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dimethylazulen-5-yl)propan-2-ol?
The IUPAC name of 2-(3,8-dimethylazulen-5-yl)propan-2-ol (CID 14293202) is 2-(3,8-dimethylazulen-5-yl)propan-2-ol.
What is the SMILES notation for 2-(3,8-dimethylazulen-5-yl)propan-2-ol?
The canonical SMILES for 2-(3,8-dimethylazulen-5-yl)propan-2-ol is Cc1ccc(C(C)(C)O)cc2c(C)ccc1-2.
What is the InChIKey of 2-(3,8-dimethylazulen-5-yl)propan-2-ol?
The InChIKey is HLNFZQARCCPCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h5-9,16H,1-4H3.
What are the key properties of 2-(3,8-dimethylazulen-5-yl)propan-2-ol?
2-(3,8-dimethylazulen-5-yl)propan-2-ol has a molecular weight of 214.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dimethylazulen-5-yl)propan-2-ol is sourced from PubChem (CID 14293202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).