(1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol

C16H24O3 — CID 175713831

IUPAC(1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol
SMILESCOC(C)(C)OC[C@@]1(C)Cc2ccc(C)cc2[C@H]1O
InChIInChI=1S/C16H24O3/c1-11-6-7-12-9-16(4,14(17)13(12)8-11)10-19-15(2,3)18-5/h6-8,14,17H,9-10H2,1-5H3/t14-,16-/m1/s1
InChIKeyZOSNOJIJPIHSNI-GDBMZVCRSA-N
MW264.37 g/mol
LogP2.99
Rot. Bonds4

About (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol

(1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol (PubChem CID 175713831) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol
PubChem CID175713831
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol
SMILESCOC(C)(C)OC[C@@]1(C)Cc2ccc(C)cc2[C@H]1O
InChIInChI=1S/C16H24O3/c1-11-6-7-12-9-16(4,14(17)13(12)8-11)10-19-15(2,3)18-5/h6-8,14,17H,9-10H2,1-5H3/t14-,16-/m1/s1
InChIKeyZOSNOJIJPIHSNI-GDBMZVCRSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol?
The IUPAC name of (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol (CID 175713831) is (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol?
The canonical SMILES for (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol is COC(C)(C)OC[C@@]1(C)Cc2ccc(C)cc2[C@H]1O.
What is the InChIKey of (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol?
The InChIKey is ZOSNOJIJPIHSNI-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-6-7-12-9-16(4,14(17)13(12)8-11)10-19-15(2,3)18-5/h6-8,14,17H,9-10H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol?
(1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-methoxypropan-2-yloxymethyl)-2,6-dimethyl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 175713831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).