(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol

C12H16O — CID 11412678

IUPAC(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC[C@H]1CC[C@H](O)c2ccccc21
InChIInChI=1S/C12H16O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h3-6,9,12-13H,2,7-8H2,1H3/t9-,12-/m0/s1
InChIKeyUVWLLTGLHABUGJ-CABZTGNLSA-N
MW176.26 g/mol
LogP3.01
Rot. Bonds1

About (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 11412678) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID11412678
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC[C@H]1CC[C@H](O)c2ccccc21
InChIInChI=1S/C12H16O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h3-6,9,12-13H,2,7-8H2,1H3/t9-,12-/m0/s1
InChIKeyUVWLLTGLHABUGJ-CABZTGNLSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 11412678) is (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC[C@H]1CC[C@H](O)c2ccccc21.
What is the InChIKey of (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UVWLLTGLHABUGJ-CABZTGNLSA-N. The full InChI is InChI=1S/C12H16O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h3-6,9,12-13H,2,7-8H2,1H3/t9-,12-/m0/s1.
What are the key properties of (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 176.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 11412678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).