3-methyl-2-naphthalen-1-ylbutan-2-ol

C15H18O — CID 11830817

IUPAC3-methyl-2-naphthalen-1-ylbutan-2-ol
SMILESCC(C)C(C)(O)c1cccc2ccccc12
InChIInChI=1S/C15H18O/c1-11(2)15(3,16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16H,1-3H3
InChIKeyAVUYZSWRJTWFAS-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.70
Rot. Bonds2

About 3-methyl-2-naphthalen-1-ylbutan-2-ol

3-methyl-2-naphthalen-1-ylbutan-2-ol (PubChem CID 11830817) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-2-naphthalen-1-ylbutan-2-ol
PubChem CID11830817
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-methyl-2-naphthalen-1-ylbutan-2-ol
SMILESCC(C)C(C)(O)c1cccc2ccccc12
InChIInChI=1S/C15H18O/c1-11(2)15(3,16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16H,1-3H3
InChIKeyAVUYZSWRJTWFAS-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methoxynaphthalen-2-yl)-3-methylbutan-2-ol
CID 53255240
3-hydroxy-3-naphthalen-1-yl-2-propan-2-ylbutanoic acid
CID 62399048
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
methyl (2R)-2-[(1R)-1-hydroxy-1-naphthalen-1-ylethyl]but-3-enoate
CID 101424869
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 3762729
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 909128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-1-ylbutan-2-ol?
The IUPAC name of 3-methyl-2-naphthalen-1-ylbutan-2-ol (CID 11830817) is 3-methyl-2-naphthalen-1-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-2-naphthalen-1-ylbutan-2-ol?
The canonical SMILES for 3-methyl-2-naphthalen-1-ylbutan-2-ol is CC(C)C(C)(O)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-naphthalen-1-ylbutan-2-ol?
The InChIKey is AVUYZSWRJTWFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11(2)15(3,16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16H,1-3H3.
What are the key properties of 3-methyl-2-naphthalen-1-ylbutan-2-ol?
3-methyl-2-naphthalen-1-ylbutan-2-ol has a molecular weight of 214.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-1-ylbutan-2-ol is sourced from PubChem (CID 11830817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).