2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol

C15H20O3 — CID 101439714

IUPAC2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol
SMILESC[C@@H]1CC=Cc2c1ccc(C(C)(O)CO)c2CO
InChIInChI=1S/C15H20O3/c1-10-4-3-5-12-11(10)6-7-14(13(12)8-16)15(2,18)9-17/h3,5-7,10,16-18H,4,8-9H2,1-2H3/t10-,15?/m1/s1
InChIKeyXICSTKBYGWRFGS-INHVJJQHSA-N
MW248.32 g/mol
LogP1.90
Rot. Bonds3

About 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol

2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol (PubChem CID 101439714) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol
PubChem CID101439714
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol
SMILESC[C@@H]1CC=Cc2c1ccc(C(C)(O)CO)c2CO
InChIInChI=1S/C15H20O3/c1-10-4-3-5-12-11(10)6-7-14(13(12)8-16)15(2,18)9-17/h3,5-7,10,16-18H,4,8-9H2,1-2H3/t10-,15?/m1/s1
InChIKeyXICSTKBYGWRFGS-INHVJJQHSA-N
XLogP1.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 325
[1,1'-Biphenyl]-3-methanol, 2-methyl-
CID 596875
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Bay 27-9955
CID 5311277
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
2,4-Dimethylbenzyl alcohol
CID 27809
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095
1,2-Propanediol, 1,1-diphenyl-
CID 2748265
1-(4-Isobutylphenyl)ethanol
CID 181654
alpha,alpha'-Dihydroxy-1,3-diisopropylbenzene
CID 74816
2,4,6-Trimethylbenzyl alcohol
CID 20139

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol?
The IUPAC name of 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol (CID 101439714) is 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol.
What is the SMILES notation for 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol?
The canonical SMILES for 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol is C[C@@H]1CC=Cc2c1ccc(C(C)(O)CO)c2CO.
What is the InChIKey of 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol?
The InChIKey is XICSTKBYGWRFGS-INHVJJQHSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-4-3-5-12-11(10)6-7-14(13(12)8-16)15(2,18)9-17/h3,5-7,10,16-18H,4,8-9H2,1-2H3/t10-,15?/m1/s1.
What are the key properties of 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol?
2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol has a molecular weight of 248.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol is sourced from PubChem (CID 101439714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).