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

C11H12ClNO3 — CID 151448831

IUPAC[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCc2ccc(Cl)cc2[C@H]1O
InChIInChI=1S/C11H12ClNO3/c12-7-3-1-6-2-4-9(13-11(15)16)10(14)8(6)5-7/h1,3,5,9-10,13-14H,2,4H2,(H,15,16)/t9-,10-/m1/s1
InChIKeyPGBKAAMZRHCPGQ-NXEZZACHSA-N
MW241.67 g/mol
LogP1.96
Rot. Bonds1

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

[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (PubChem CID 151448831) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
PubChem CID151448831
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCc2ccc(Cl)cc2[C@H]1O
InChIInChI=1S/C11H12ClNO3/c12-7-3-1-6-2-4-9(13-11(15)16)10(14)8(6)5-7/h1,3,5,9-10,13-14H,2,4H2,(H,15,16)/t9-,10-/m1/s1
InChIKeyPGBKAAMZRHCPGQ-NXEZZACHSA-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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Related Compounds

7-chloro-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83835169
[(1R,2S)-1-(carboxyamino)-6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 160888294
[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151291625
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294881
7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057000
[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 142710204
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105481539
7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057981
6-chloro-1-fluoro-2,3-dihydro-1H-indene
CID 84717388
[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
CID 68921650
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The IUPAC name of [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid (CID 151448831) is [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid.
What is the SMILES notation for [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The canonical SMILES for [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is O=C(O)N[C@@H]1CCc2ccc(Cl)cc2[C@H]1O.
What is the InChIKey of [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
The InChIKey is PGBKAAMZRHCPGQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-3-1-6-2-4-9(13-11(15)16)10(14)8(6)5-7/h1,3,5,9-10,13-14H,2,4H2,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid?
[(1R,2R)-7-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 [(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid is sourced from PubChem (CID 151448831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).