(1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene

C17H18O — CID 134931764

IUPAC(1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene
SMILESCO[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyDRDLQZZBEVKJSE-SJORKVTESA-N
MW238.33 g/mol
LogP3.78
Rot. Bonds2

About (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene

(1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 134931764) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene
PubChem CID134931764
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene
SMILESCO[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C17H18O/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyDRDLQZZBEVKJSE-SJORKVTESA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene (CID 134931764) is (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene is CO[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DRDLQZZBEVKJSE-SJORKVTESA-N. The full InChI is InChI=1S/C17H18O/c1-18-16-12-11-13-7-5-6-10-15(13)17(16)14-8-3-2-4-9-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene?
(1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 238.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 134931764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).