(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C14H20O — CID 79014448

IUPAC(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)Cc1ccc2c(c1)[C@@H](O)CCC2
InChIInChI=1S/C14H20O/c1-10(2)8-11-6-7-12-4-3-5-14(15)13(12)9-11/h6-7,9-10,14-15H,3-5,8H2,1-2H3/t14-/m0/s1
InChIKeyPIKKJUDFJGMWCD-AWEZNQCLSA-N
MW204.31 g/mol
LogP3.25
Rot. Bonds2

About (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79014448) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79014448
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)Cc1ccc2c(c1)[C@@H](O)CCC2
InChIInChI=1S/C14H20O/c1-10(2)8-11-6-7-12-4-3-5-14(15)13(12)9-11/h6-7,9-10,14-15H,3-5,8H2,1-2H3/t14-/m0/s1
InChIKeyPIKKJUDFJGMWCD-AWEZNQCLSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344
3-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-inden-1-ol
CID 63823202
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol
CID 160826780
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 175738988
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68536936

Frequently Asked Questions

What is the IUPAC name of (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79014448) is (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)Cc1ccc2c(c1)[C@@H](O)CCC2.
What is the InChIKey of (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is PIKKJUDFJGMWCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)8-11-6-7-12-4-3-5-14(15)13(12)9-11/h6-7,9-10,14-15H,3-5,8H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79014448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).