2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol

C16H20O — CID 57195699

IUPAC2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H20O/c1-12(2)16(3,17)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,17H,11H2,1-3H3
InChIKeyZFFMMCNRHVPRMU-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds3

About 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol

2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol (PubChem CID 57195699) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
PubChem CID57195699
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H20O/c1-12(2)16(3,17)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,17H,11H2,1-3H3
InChIKeyZFFMMCNRHVPRMU-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol?
The IUPAC name of 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol (CID 57195699) is 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol is CC(C)C(C)(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol?
The InChIKey is ZFFMMCNRHVPRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-12(2)16(3,17)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,17H,11H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol?
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol is sourced from PubChem (CID 57195699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).