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

C16H20O — CID 140553457

IUPAC2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
SMILESCC(C)(O)C(C)(C)c1cccc2ccccc12
InChIInChI=1S/C16H20O/c1-15(2,16(3,4)17)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,17H,1-4H3
InChIKeyKTWAPIBTENMPLU-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.89
Rot. Bonds2

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

2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol (PubChem CID 140553457) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
PubChem CID140553457
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
SMILESCC(C)(O)C(C)(C)c1cccc2ccccc12
InChIInChI=1S/C16H20O/c1-15(2,16(3,4)17)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,17H,1-4H3
InChIKeyKTWAPIBTENMPLU-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 3762729
(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 909128
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
4-naphthalen-1-ylheptan-4-ol
CID 114866255
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774382
1-(4-chlorophenyl)-1-naphthalen-1-ylethanol
CID 62787612
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol?
The IUPAC name of 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol (CID 140553457) is 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol is CC(C)(O)C(C)(C)c1cccc2ccccc12.
What is the InChIKey of 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol?
The InChIKey is KTWAPIBTENMPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-15(2,16(3,4)17)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,17H,1-4H3.
What are the key properties of 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol?
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol is sourced from PubChem (CID 140553457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).