3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol

C16H20O — CID 57071428

IUPAC3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
SMILESCc1ccc(C(O)CC(C)C)c2ccccc12
InChIInChI=1S/C16H20O/c1-11(2)10-16(17)15-9-8-12(3)13-6-4-5-7-14(13)15/h4-9,11,16-17H,10H2,1-3H3
InChIKeyDOXHCXQSGCZTMA-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.23
Rot. Bonds3

About 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol

3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol (PubChem CID 57071428) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
PubChem CID57071428
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
SMILESCc1ccc(C(O)CC(C)C)c2ccccc12
InChIInChI=1S/C16H20O/c1-11(2)10-16(17)15-9-8-12(3)13-6-4-5-7-14(13)15/h4-9,11,16-17H,10H2,1-3H3
InChIKeyDOXHCXQSGCZTMA-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
4-[(1S)-1-hydroxy-3-methylbutyl]naphthalene-1-carbaldehyde
CID 129391624
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
CID 65297898
3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 59570754
3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170828749
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
methyl-[3-methyl-1-(5-methylnaphthalen-1-yl)butyl]phosphane
CID 143952425
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
1-(2-ethylphenyl)-3-methylbutan-1-ol
CID 63901974

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol (CID 57071428) is 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol is Cc1ccc(C(O)CC(C)C)c2ccccc12.
What is the InChIKey of 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol?
The InChIKey is DOXHCXQSGCZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-11(2)10-16(17)15-9-8-12(3)13-6-4-5-7-14(13)15/h4-9,11,16-17H,10H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol?
3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol is sourced from PubChem (CID 57071428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).