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

C15H18O — CID 62717256

IUPAC3-methyl-1-naphthalen-2-ylbutan-1-ol
SMILESCC(C)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18O/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15-16H,9H2,1-2H3
InChIKeyYGJMHHKCXPPAPJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.92
Rot. Bonds3

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

3-methyl-1-naphthalen-2-ylbutan-1-ol (PubChem CID 62717256) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-naphthalen-2-ylbutan-1-ol
PubChem CID62717256
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-methyl-1-naphthalen-2-ylbutan-1-ol
SMILESCC(C)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18O/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15-16H,9H2,1-2H3
InChIKeyYGJMHHKCXPPAPJ-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
tert-butyl-[6-(1-hydroxy-3-methylbutyl)naphthalen-2-yl]tin
CID 141461501
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-2-amine
CID 43371937
(1S)-1-naphthalen-2-yl-2-tri(propan-2-yl)silyloxyethanol
CID 10736263
2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
CID 65136583
ethane;2-propan-2-ylnaphthalene
CID 142226111

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 3-methyl-1-naphthalen-2-ylbutan-1-ol (CID 62717256) is 3-methyl-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 3-methyl-1-naphthalen-2-ylbutan-1-ol is CC(C)CC(O)c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is YGJMHHKCXPPAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15-16H,9H2,1-2H3.
What are the key properties of 3-methyl-1-naphthalen-2-ylbutan-1-ol?
3-methyl-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 62717256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).