(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol

C13H16O — CID 134970353

IUPAC(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol
SMILESCC[C@@H]1C=C(C)c2ccccc2[C@H]1O
InChIInChI=1S/C13H16O/c1-3-10-8-9(2)11-6-4-5-7-12(11)13(10)14/h4-8,10,13-14H,3H2,1-2H3/t10-,13+/m1/s1
InChIKeyRYHMJRYSDPFMIV-MFKMUULPSA-N
MW188.27 g/mol
LogP3.16
Rot. Bonds1

About (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol

(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol (PubChem CID 134970353) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol
PubChem CID134970353
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol
SMILESCC[C@@H]1C=C(C)c2ccccc2[C@H]1O
InChIInChI=1S/C13H16O/c1-3-10-8-9(2)11-6-4-5-7-12(11)13(10)14/h4-8,10,13-14H,3H2,1-2H3/t10-,13+/m1/s1
InChIKeyRYHMJRYSDPFMIV-MFKMUULPSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol (CID 134970353) is (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol is CC[C@@H]1C=C(C)c2ccccc2[C@H]1O.
What is the InChIKey of (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is RYHMJRYSDPFMIV-MFKMUULPSA-N. The full InChI is InChI=1S/C13H16O/c1-3-10-8-9(2)11-6-4-5-7-12(11)13(10)14/h4-8,10,13-14H,3H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol?
(1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-ethyl-4-methyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 134970353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).