2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol

C17H22O — CID 81432516

IUPAC2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
SMILESCc1ccc2ccccc2c1C(O)C(C)C(C)C
InChIInChI=1S/C17H22O/c1-11(2)13(4)17(18)16-12(3)9-10-14-7-5-6-8-15(14)16/h5-11,13,17-18H,1-4H3
InChIKeyWIYKKGQFANPRGA-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.47
Rot. Bonds3

About 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol

2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol (PubChem CID 81432516) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
PubChem CID81432516
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
SMILESCc1ccc2ccccc2c1C(O)C(C)C(C)C
InChIInChI=1S/C17H22O/c1-11(2)13(4)17(18)16-12(3)9-10-14-7-5-6-8-15(14)16/h5-11,13,17-18H,1-4H3
InChIKeyWIYKKGQFANPRGA-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
S-[2,3-dihydroxy-3-(2-methylnaphthalen-1-yl)propyl] ethanethioate
CID 170822663
2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 81431477
1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
CID 81431735
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
(2-methylnaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79020949
(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
CID 91655781
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
CID 81431739
(R)-furan-3-yl-(2-methylnaphthalen-1-yl)methanol
CID 97056042
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol?
The IUPAC name of 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol (CID 81432516) is 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol is Cc1ccc2ccccc2c1C(O)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol?
The InChIKey is WIYKKGQFANPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-11(2)13(4)17(18)16-12(3)9-10-14-7-5-6-8-15(14)16/h5-11,13,17-18H,1-4H3.
What are the key properties of 2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol?
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 4.47, 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-(2-methylnaphthalen-1-yl)butan-1-ol is sourced from PubChem (CID 81432516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).