7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C15H22O2 — CID 82159158

IUPAC7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)CC(CO)C2
InChIInChI=1S/C15H22O2/c1-15(2,3)12-5-4-11-6-10(9-16)7-14(17)13(11)8-12/h4-5,8,10,14,16-17H,6-7,9H2,1-3H3
InChIKeyNCQYNBQIVJJJCC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds1

About 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 82159158) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID82159158
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)(C)c1ccc2c(c1)C(O)CC(CO)C2
InChIInChI=1S/C15H22O2/c1-15(2,3)12-5-4-11-6-10(9-16)7-14(17)13(11)8-12/h4-5,8,10,14,16-17H,6-7,9H2,1-3H3
InChIKeyNCQYNBQIVJJJCC-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 82159158) is 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)(C)c1ccc2c(c1)C(O)CC(CO)C2.
What is the InChIKey of 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is NCQYNBQIVJJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,3)12-5-4-11-6-10(9-16)7-14(17)13(11)8-12/h4-5,8,10,14,16-17H,6-7,9H2,1-3H3.
What are the key properties of 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82159158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).