1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride

C14H17ClO — CID 101271421

IUPAC1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride
SMILESCC1(C)c2ccccc2C(C)(C)C1C(=O)Cl
InChIInChI=1S/C14H17ClO/c1-13(2)9-7-5-6-8-10(9)14(3,4)11(13)12(15)16/h5-8,11H,1-4H3
InChIKeyOAYVDNCZXRDNGZ-UHFFFAOYSA-N
MW236.74 g/mol
LogP3.64
Rot. Bonds1

About 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride

1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride (PubChem CID 101271421) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride
PubChem CID101271421
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride
SMILESCC1(C)c2ccccc2C(C)(C)C1C(=O)Cl
InChIInChI=1S/C14H17ClO/c1-13(2)9-7-5-6-8-10(9)14(3,4)11(13)12(15)16/h5-8,11H,1-4H3
InChIKeyOAYVDNCZXRDNGZ-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride?
The IUPAC name of 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride (CID 101271421) is 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride.
What is the SMILES notation for 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride?
The canonical SMILES for 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride is CC1(C)c2ccccc2C(C)(C)C1C(=O)Cl.
What is the InChIKey of 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride?
The InChIKey is OAYVDNCZXRDNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c1-13(2)9-7-5-6-8-10(9)14(3,4)11(13)12(15)16/h5-8,11H,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride?
1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride has a molecular weight of 236.74 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride is sourced from PubChem (CID 101271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).