(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H14Cl2O — CID 125482732

IUPAC(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2CC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O/c17-14-8-6-11(9-15(14)18)13-7-5-10-3-1-2-4-12(10)16(13)19/h1-4,6,8-9,13,16,19H,5,7H2/t13-,16-/m1/s1
InChIKeyOMHRMIYBQGYVLD-CZUORRHYSA-N
MW293.19 g/mol
LogP4.76
Rot. Bonds1

About (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 125482732) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID125482732
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2CC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O/c17-14-8-6-11(9-15(14)18)13-7-5-10-3-1-2-4-12(10)16(13)19/h1-4,6,8-9,13,16,19H,5,7H2/t13-,16-/m1/s1
InChIKeyOMHRMIYBQGYVLD-CZUORRHYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66809019
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
1-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dihydroisoindol-2-ium
CID 50852190
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
(1S,2R)-7-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482901
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
4-(2-bromocyclopentyl)-1,2-dichlorobenzene
CID 63511309
4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
CID 79440006

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 125482732) is (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1c2ccccc2CC[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is OMHRMIYBQGYVLD-CZUORRHYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c17-14-8-6-11(9-15(14)18)13-7-5-10-3-1-2-4-12(10)16(13)19/h1-4,6,8-9,13,16,19H,5,7H2/t13-,16-/m1/s1.
What are the key properties of (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 293.19 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 125482732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).