(1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol

C16H24O2 — CID 139590542

IUPAC(1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1C[C@H](C)O)[C@@H](C)[C@H](O)[C@H](C)C2
InChIInChI=1S/C16H24O2/c1-9-5-14-6-10(2)16(18)12(4)15(14)8-13(9)7-11(3)17/h5,8,10-12,16-18H,6-7H2,1-4H3/t10-,11+,12-,16-/m1/s1
InChIKeyJHDZFWRABRBPFB-AZKPJATDSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds2

About (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol

(1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 139590542) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID139590542
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1C[C@H](C)O)[C@@H](C)[C@H](O)[C@H](C)C2
InChIInChI=1S/C16H24O2/c1-9-5-14-6-10(2)16(18)12(4)15(14)8-13(9)7-11(3)17/h5,8,10-12,16-18H,6-7H2,1-4H3/t10-,11+,12-,16-/m1/s1
InChIKeyJHDZFWRABRBPFB-AZKPJATDSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol (CID 139590542) is (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1cc2c(cc1C[C@H](C)O)[C@@H](C)[C@H](O)[C@H](C)C2.
What is the InChIKey of (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is JHDZFWRABRBPFB-AZKPJATDSA-N. The full InChI is InChI=1S/C16H24O2/c1-9-5-14-6-10(2)16(18)12(4)15(14)8-13(9)7-11(3)17/h5,8,10-12,16-18H,6-7H2,1-4H3/t10-,11+,12-,16-/m1/s1.
What are the key properties of (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol?
(1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-7-[(2S)-2-hydroxypropyl]-1,3,6-trimethyl-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 139590542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).