4-methyl-2-naphthalen-2-ylpentane-2,3-diol

C16H20O2 — CID 102080428

IUPAC4-methyl-2-naphthalen-2-ylpentane-2,3-diol
SMILESCC(C)C(O)C(C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20O2/c1-11(2)15(17)16(3,18)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,17-18H,1-3H3
InChIKeyZZYKEJNFHSMAEG-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-2-naphthalen-2-ylpentane-2,3-diol

4-methyl-2-naphthalen-2-ylpentane-2,3-diol (PubChem CID 102080428) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-2-ylpentane-2,3-diol.

Molecular Properties

Compound Name4-methyl-2-naphthalen-2-ylpentane-2,3-diol
PubChem CID102080428
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-methyl-2-naphthalen-2-ylpentane-2,3-diol
SMILESCC(C)C(O)C(C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20O2/c1-11(2)15(17)16(3,18)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,17-18H,1-3H3
InChIKeyZZYKEJNFHSMAEG-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
CID 23002857
trinaphthalen-2-ylmethanol
CID 10573628
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
2-(2,3-dimethylbutan-2-yl)anthracene
CID 173439325
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
CID 85377854
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
1-naphthalen-2-yl-1-(4-trimethylsilylphenyl)ethanol
CID 56946566
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
CID 40500418
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-2-ylpentane-2,3-diol?
The IUPAC name of 4-methyl-2-naphthalen-2-ylpentane-2,3-diol (CID 102080428) is 4-methyl-2-naphthalen-2-ylpentane-2,3-diol.
What is the SMILES notation for 4-methyl-2-naphthalen-2-ylpentane-2,3-diol?
The canonical SMILES for 4-methyl-2-naphthalen-2-ylpentane-2,3-diol is CC(C)C(O)C(C)(O)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-2-naphthalen-2-ylpentane-2,3-diol?
The InChIKey is ZZYKEJNFHSMAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11(2)15(17)16(3,18)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,17-18H,1-3H3.
What are the key properties of 4-methyl-2-naphthalen-2-ylpentane-2,3-diol?
4-methyl-2-naphthalen-2-ylpentane-2,3-diol has a molecular weight of 244.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-2-ylpentane-2,3-diol is sourced from PubChem (CID 102080428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).