6-(5-methylhexan-3-yl)naphthalen-2-ol

C17H22O — CID 123500206

IUPAC6-(5-methylhexan-3-yl)naphthalen-2-ol
SMILESCCC(CC(C)C)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H22O/c1-4-13(9-12(2)3)14-5-6-16-11-17(18)8-7-15(16)10-14/h5-8,10-13,18H,4,9H2,1-3H3
InChIKeyYZLGWCSCXNELNH-UHFFFAOYSA-N
MW242.36 g/mol
LogP5.09
Rot. Bonds4

About 6-(5-methylhexan-3-yl)naphthalen-2-ol

6-(5-methylhexan-3-yl)naphthalen-2-ol (PubChem CID 123500206) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-(5-methylhexan-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(5-methylhexan-3-yl)naphthalen-2-ol
PubChem CID123500206
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name6-(5-methylhexan-3-yl)naphthalen-2-ol
SMILESCCC(CC(C)C)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H22O/c1-4-13(9-12(2)3)14-5-6-16-11-17(18)8-7-15(16)10-14/h5-8,10-13,18H,4,9H2,1-3H3
InChIKeyYZLGWCSCXNELNH-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(1-hydroxypentan-3-yl)naphthalen-2-ol
CID 69467635
6-(1-iodoethyl)naphthalen-2-ol
CID 147688563
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
tetrakis(benzene-1,3-diol);2,4-dimethylpentane;propane
CID 157137279
butan-2-ylbenzene;6-butan-2-ylnaphthalen-2-ol;(4-butan-2-ylphenyl)methanol
CID 161227870
octyl (2S)-2-(6-hydroxynaphthalen-2-yl)propanoate
CID 177386829
2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 23391465
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
6-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]naphthalen-2-ol;hydrochloride
CID 171267170
1-(5-methylhexan-3-yl)-4-phenoxybenzene
CID 144899033
1,1,1,3,3,3-hexafluoro-2-[2-methyl-4-(5-methylhexan-3-yl)phenyl]propan-2-ol
CID 123946520

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylhexan-3-yl)naphthalen-2-ol?
The IUPAC name of 6-(5-methylhexan-3-yl)naphthalen-2-ol (CID 123500206) is 6-(5-methylhexan-3-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(5-methylhexan-3-yl)naphthalen-2-ol?
The canonical SMILES for 6-(5-methylhexan-3-yl)naphthalen-2-ol is CCC(CC(C)C)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(5-methylhexan-3-yl)naphthalen-2-ol?
The InChIKey is YZLGWCSCXNELNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-4-13(9-12(2)3)14-5-6-16-11-17(18)8-7-15(16)10-14/h5-8,10-13,18H,4,9H2,1-3H3.
What are the key properties of 6-(5-methylhexan-3-yl)naphthalen-2-ol?
6-(5-methylhexan-3-yl)naphthalen-2-ol has a molecular weight of 242.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylhexan-3-yl)naphthalen-2-ol is sourced from PubChem (CID 123500206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).