(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene

C18H20 — CID 170728886

IUPAC(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2C
InChIInChI=1S/C18H20/c1-13-8-10-18-14(2)17(11-9-16(18)12-13)15-6-4-3-5-7-15/h3-8,10,12,14,17H,9,11H2,1-2H3/t14-,17-/m0/s1
InChIKeyIDIZEXFVPGBQKG-YOEHRIQHSA-N
MW236.36 g/mol
LogP4.83
Rot. Bonds1

About (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene

(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 170728886) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
PubChem CID170728886
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2C
InChIInChI=1S/C18H20/c1-13-8-10-18-14(2)17(11-9-16(18)12-13)15-6-4-3-5-7-15/h3-8,10,12,14,17H,9,11H2,1-2H3/t14-,17-/m0/s1
InChIKeyIDIZEXFVPGBQKG-YOEHRIQHSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene (CID 170728886) is (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene is Cc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2C.
What is the InChIKey of (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is IDIZEXFVPGBQKG-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H20/c1-13-8-10-18-14(2)17(11-9-16(18)12-13)15-6-4-3-5-7-15/h3-8,10,12,14,17H,9,11H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene?
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 236.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 170728886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).