(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C16H21ClO2 — CID 115813985

IUPAC(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H21ClO2/c1-10-6-7-11(17)8-12(10)14(18)13-9-15(2,3)19-16(13,4)5/h6-8,13H,9H2,1-5H3
InChIKeyUHHWOBKGQNZGIM-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.42
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 115813985) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID115813985
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H21ClO2/c1-10-6-7-11(17)8-12(10)14(18)13-9-15(2,3)19-16(13,4)5/h6-8,13H,9H2,1-5H3
InChIKeyUHHWOBKGQNZGIM-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 115813985) is (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is Cc1ccc(Cl)cc1C(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is UHHWOBKGQNZGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-10-6-7-11(17)8-12(10)14(18)13-9-15(2,3)19-16(13,4)5/h6-8,13H,9H2,1-5H3.
What are the key properties of (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 280.80 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 115813985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).