(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol

C12H16O2 — CID 22216149

IUPAC(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
SMILESCC[C@@]1(O)CCc2ccccc2[C@@H]1O
InChIInChI=1S/C12H16O2/c1-2-12(14)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,11,13-14H,2,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyJAYDBGMBIZUVNP-NWDGAFQWSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds1

About (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol

(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol (PubChem CID 22216149) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
PubChem CID22216149
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
SMILESCC[C@@]1(O)CCc2ccccc2[C@@H]1O
InChIInChI=1S/C12H16O2/c1-2-12(14)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,11,13-14H,2,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyJAYDBGMBIZUVNP-NWDGAFQWSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
CID 143281176
(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol
CID 102018706
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
CID 89278768
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
2-benzyl-2-(2,3-dihydro-1H-inden-1-yl)-1,3-dihydroinden-1-ol
CID 18368438
1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol
CID 11172302
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol?
The IUPAC name of (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol (CID 22216149) is (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol.
What is the SMILES notation for (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol?
The canonical SMILES for (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol is CC[C@@]1(O)CCc2ccccc2[C@@H]1O.
What is the InChIKey of (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol?
The InChIKey is JAYDBGMBIZUVNP-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-12(14)8-7-9-5-3-4-6-10(9)11(12)13/h3-6,11,13-14H,2,7-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol?
(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol has a molecular weight of 192.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol is sourced from PubChem (CID 22216149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).