(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol

C17H16O — CID 132579451

IUPAC(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
SMILESCc1cccc([C@@H]2C=Cc3ccccc3[C@H]2O)c1
InChIInChI=1S/C17H16O/c1-12-5-4-7-14(11-12)16-10-9-13-6-2-3-8-15(13)17(16)18/h2-11,16-18H,1H3/t16-,17+/m0/s1
InChIKeyUGKXFEMORJNWPO-DLBZAZTESA-N
MW236.31 g/mol
LogP3.84
Rot. Bonds1

About (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol (PubChem CID 132579451) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
PubChem CID132579451
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
SMILESCc1cccc([C@@H]2C=Cc3ccccc3[C@H]2O)c1
InChIInChI=1S/C17H16O/c1-12-5-4-7-14(11-12)16-10-9-13-6-2-3-8-15(13)17(16)18/h2-11,16-18H,1H3/t16-,17+/m0/s1
InChIKeyUGKXFEMORJNWPO-DLBZAZTESA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 11807312
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 131848736
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723
(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol
CID 134960838
methyl 4-[(1S,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]benzoate
CID 177385810
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 132579460
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 11474456
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol (CID 132579451) is (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol is Cc1cccc([C@@H]2C=Cc3ccccc3[C@H]2O)c1.
What is the InChIKey of (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is UGKXFEMORJNWPO-DLBZAZTESA-N. The full InChI is InChI=1S/C17H16O/c1-12-5-4-7-14(11-12)16-10-9-13-6-2-3-8-15(13)17(16)18/h2-11,16-18H,1H3/t16-,17+/m0/s1.
What are the key properties of (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 236.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 132579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).