(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C17H17ClO2 — CID 125482572

IUPAC(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)CC[C@H](c1ccc(Cl)cc1)[C@@H]2O
InChIInChI=1S/C17H17ClO2/c1-20-14-7-9-16-12(10-14)4-8-15(17(16)19)11-2-5-13(18)6-3-11/h2-3,5-7,9-10,15,17,19H,4,8H2,1H3/t15-,17+/m1/s1
InChIKeyCJTFXXPZRPAXDT-WBVHZDCISA-N
MW288.77 g/mol
LogP4.11
Rot. Bonds2

About (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 125482572) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID125482572
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1)CC[C@H](c1ccc(Cl)cc1)[C@@H]2O
InChIInChI=1S/C17H17ClO2/c1-20-14-7-9-16-12(10-14)4-8-15(17(16)19)11-2-5-13(18)6-3-11/h2-3,5-7,9-10,15,17,19H,4,8H2,1H3/t15-,17+/m1/s1
InChIKeyCJTFXXPZRPAXDT-WBVHZDCISA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 125482572) is (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1)CC[C@H](c1ccc(Cl)cc1)[C@@H]2O.
What is the InChIKey of (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is CJTFXXPZRPAXDT-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17ClO2/c1-20-14-7-9-16-12(10-14)4-8-15(17(16)19)11-2-5-13(18)6-3-11/h2-3,5-7,9-10,15,17,19H,4,8H2,1H3/t15-,17+/m1/s1.
What are the key properties of (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 288.77 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 125482572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).