[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

C11H12ClNO3 — CID 151291625

IUPAC[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCc2cccc(Cl)c2[C@@H]1O
InChIInChI=1S/C11H12ClNO3/c12-7-3-1-2-6-4-5-8(13-11(15)16)10(14)9(6)7/h1-3,8,10,13-14H,4-5H2,(H,15,16)/t8-,10-/m1/s1
InChIKeyOANUBNZTVOJGBT-PSASIEDQSA-N
MW241.67 g/mol
LogP1.96
Rot. Bonds1

About [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid

[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 151291625) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID151291625
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCc2cccc(Cl)c2[C@@H]1O
InChIInChI=1S/C11H12ClNO3/c12-7-3-1-2-6-4-5-8(13-11(15)16)10(14)9(6)7/h1-3,8,10,13-14H,4-5H2,(H,15,16)/t8-,10-/m1/s1
InChIKeyOANUBNZTVOJGBT-PSASIEDQSA-N
XLogP1.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 151291625) is [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)N[C@@H]1CCc2cccc(Cl)c2[C@@H]1O.
What is the InChIKey of [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is OANUBNZTVOJGBT-PSASIEDQSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-3-1-2-6-4-5-8(13-11(15)16)10(14)9(6)7/h1-3,8,10,13-14H,4-5H2,(H,15,16)/t8-,10-/m1/s1.
What are the key properties of [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid has a molecular weight of 241.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 151291625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).