(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol

C12H14O — CID 102230606

IUPAC(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol
SMILESCC1=C[C@H](C)[C@H](O)c2ccccc21
InChIInChI=1S/C12H14O/c1-8-7-9(2)12(13)11-6-4-3-5-10(8)11/h3-7,9,12-13H,1-2H3/t9-,12-/m0/s1
InChIKeyOHUQMCFILZQPEQ-CABZTGNLSA-N
MW174.24 g/mol
LogP2.77
Rot. Bonds

About (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol

(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol (PubChem CID 102230606) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol
PubChem CID102230606
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol
SMILESCC1=C[C@H](C)[C@H](O)c2ccccc21
InChIInChI=1S/C12H14O/c1-8-7-9(2)12(13)11-6-4-3-5-10(8)11/h3-7,9,12-13H,1-2H3/t9-,12-/m0/s1
InChIKeyOHUQMCFILZQPEQ-CABZTGNLSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol
CID 134970353
(1S,2S)-2-methyl-4-propan-2-yl-1,2-dihydronaphthalen-1-ol
CID 134966420
1,3-dimethyl-1H-indene;ethane
CID 90859449
(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
CID 139086519
CID 18430512
CID 18430512
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 18670048
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 10534997
4-methyl-1H-isochromen-1-ol
CID 174559423
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol (CID 102230606) is (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol is CC1=C[C@H](C)[C@H](O)c2ccccc21.
What is the InChIKey of (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is OHUQMCFILZQPEQ-CABZTGNLSA-N. The full InChI is InChI=1S/C12H14O/c1-8-7-9(2)12(13)11-6-4-3-5-10(8)11/h3-7,9,12-13H,1-2H3/t9-,12-/m0/s1.
What are the key properties of (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 102230606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).