[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

C11H12ClNO3 — CID 134294881

IUPAC[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESNC(=O)O[C@@H]1CCc2ccc(Cl)cc2[C@@H]1O
InChIInChI=1S/C11H12ClNO3/c12-7-3-1-6-2-4-9(16-11(13)15)10(14)8(6)5-7/h1,3,5,9-10,14H,2,4H2,(H2,13,15)/t9-,10+/m1/s1
InChIKeyOPDAHVPIUNMERE-ZJUUUORDSA-N
MW241.67 g/mol
LogP1.78
Rot. Bonds1

About [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate

[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (PubChem CID 134294881) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.

Molecular Properties

Compound Name[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
PubChem CID134294881
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
SMILESNC(=O)O[C@@H]1CCc2ccc(Cl)cc2[C@@H]1O
InChIInChI=1S/C11H12ClNO3/c12-7-3-1-6-2-4-9(16-11(13)15)10(14)8(6)5-7/h1,3,5,9-10,14H,2,4H2,(H2,13,15)/t9-,10+/m1/s1
InChIKeyOPDAHVPIUNMERE-ZJUUUORDSA-N
XLogP1.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The IUPAC name of [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate (CID 134294881) is [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate.
What is the SMILES notation for [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The canonical SMILES for [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is NC(=O)O[C@@H]1CCc2ccc(Cl)cc2[C@@H]1O.
What is the InChIKey of [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
The InChIKey is OPDAHVPIUNMERE-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-3-1-6-2-4-9(16-11(13)15)10(14)8(6)5-7/h1,3,5,9-10,14H,2,4H2,(H2,13,15)/t9-,10+/m1/s1.
What are the key properties of [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate?
[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate has a molecular weight of 241.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate is sourced from PubChem (CID 134294881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).