1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one

C15H18O2 — CID 132507071

IUPAC1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one
SMILESCC1=CC=C(C(C)C)C=C2C1=CC(=O)C2(C)O
InChIInChI=1S/C15H18O2/c1-9(2)11-6-5-10(3)12-8-14(16)15(4,17)13(12)7-11/h5-9,17H,1-4H3
InChIKeyDDPKFBLDFLKRQA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.72
Rot. Bonds1

About 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one

1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one (PubChem CID 132507071) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one.

Molecular Properties

Compound Name1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one
PubChem CID132507071
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one
SMILESCC1=CC=C(C(C)C)C=C2C1=CC(=O)C2(C)O
InChIInChI=1S/C15H18O2/c1-9(2)11-6-5-10(3)12-8-14(16)15(4,17)13(12)7-11/h5-9,17H,1-4H3
InChIKeyDDPKFBLDFLKRQA-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one?
The IUPAC name of 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one (CID 132507071) is 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one.
What is the SMILES notation for 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one?
The canonical SMILES for 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one is CC1=CC=C(C(C)C)C=C2C1=CC(=O)C2(C)O.
What is the InChIKey of 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one?
The InChIKey is DDPKFBLDFLKRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9(2)11-6-5-10(3)12-8-14(16)15(4,17)13(12)7-11/h5-9,17H,1-4H3.
What are the key properties of 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one?
1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,4-dimethyl-7-propan-2-ylazulen-2-one is sourced from PubChem (CID 132507071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).