(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H24O — CID 113305867

IUPAC(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC(C)(C)c1ccc2c(c1)[C@@H](O)CCC2C
InChIInChI=1S/C16H24O/c1-5-16(3,4)12-7-8-13-11(2)6-9-15(17)14(13)10-12/h7-8,10-11,15,17H,5-6,9H2,1-4H3/t11?,15-/m0/s1
InChIKeyNVBSDTSOXMWPNZ-MHTVFEQDSA-N
MW232.37 g/mol
LogP4.30
Rot. Bonds2

About (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 113305867) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID113305867
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC(C)(C)c1ccc2c(c1)[C@@H](O)CCC2C
InChIInChI=1S/C16H24O/c1-5-16(3,4)12-7-8-13-11(2)6-9-15(17)14(13)10-12/h7-8,10-11,15,17H,5-6,9H2,1-4H3/t11?,15-/m0/s1
InChIKeyNVBSDTSOXMWPNZ-MHTVFEQDSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 113305867) is (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is CCC(C)(C)c1ccc2c(c1)[C@@H](O)CCC2C.
What is the InChIKey of (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is NVBSDTSOXMWPNZ-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H24O/c1-5-16(3,4)12-7-8-13-11(2)6-9-15(17)14(13)10-12/h7-8,10-11,15,17H,5-6,9H2,1-4H3/t11?,15-/m0/s1.
What are the key properties of (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 113305867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).