[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol

C15H22ClNO2 — CID 79927246

IUPAC[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
SMILESCC1(C)CC(CO)(Nc2ccccc2Cl)C(C)(C)O1
InChIInChI=1S/C15H22ClNO2/c1-13(2)9-15(10-18,14(3,4)19-13)17-12-8-6-5-7-11(12)16/h5-8,17-18H,9-10H2,1-4H3
InChIKeyRYCXWRIQZCJLTK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.46
Rot. Bonds3

About [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol

[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol (PubChem CID 79927246) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
PubChem CID79927246
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
SMILESCC1(C)CC(CO)(Nc2ccccc2Cl)C(C)(C)O1
InChIInChI=1S/C15H22ClNO2/c1-13(2)9-15(10-18,14(3,4)19-13)17-12-8-6-5-7-11(12)16/h5-8,17-18H,9-10H2,1-4H3
InChIKeyRYCXWRIQZCJLTK-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The IUPAC name of [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol (CID 79927246) is [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The canonical SMILES for [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol is CC1(C)CC(CO)(Nc2ccccc2Cl)C(C)(C)O1.
What is the InChIKey of [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
The InChIKey is RYCXWRIQZCJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-13(2)9-15(10-18,14(3,4)19-13)17-12-8-6-5-7-11(12)16/h5-8,17-18H,9-10H2,1-4H3.
What are the key properties of [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol?
[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol has a molecular weight of 283.80 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol is sourced from PubChem (CID 79927246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).