(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol

C19H20O — CID 135026635

IUPAC(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
SMILESCc1ccc(C)c2c1C=C[C@H](Cc1ccccc1)[C@@H]2O
InChIInChI=1S/C19H20O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,16,19-20H,12H2,1-2H3/t16-,19+/m1/s1
InChIKeyLOKLHTXZWHPRGV-APWZRJJASA-N
MW264.37 g/mol
LogP4.22
Rot. Bonds2

About (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol (PubChem CID 135026635) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
PubChem CID135026635
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
SMILESCc1ccc(C)c2c1C=C[C@H](Cc1ccccc1)[C@@H]2O
InChIInChI=1S/C19H20O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,16,19-20H,12H2,1-2H3/t16-,19+/m1/s1
InChIKeyLOKLHTXZWHPRGV-APWZRJJASA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol (CID 135026635) is (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol is Cc1ccc(C)c2c1C=C[C@H](Cc1ccccc1)[C@@H]2O.
What is the InChIKey of (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is LOKLHTXZWHPRGV-APWZRJJASA-N. The full InChI is InChI=1S/C19H20O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,16,19-20H,12H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 264.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 135026635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).