[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol

C15H21ClO — CID 10682272

IUPAC[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol
SMILESCc1cc2c(c(CO)c1CCCl)CC(C)(C)C2
InChIInChI=1S/C15H21ClO/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,17H,4-5,7-9H2,1-3H3
InChIKeyYRVKHQPHSAAEOU-UHFFFAOYSA-N
MW252.78 g/mol
LogP3.39
Rot. Bonds3

About [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol

[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol (PubChem CID 10682272) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol
PubChem CID10682272
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol
SMILESCc1cc2c(c(CO)c1CCCl)CC(C)(C)C2
InChIInChI=1S/C15H21ClO/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,17H,4-5,7-9H2,1-3H3
InChIKeyYRVKHQPHSAAEOU-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol?
The IUPAC name of [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol (CID 10682272) is [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol.
What is the SMILES notation for [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol?
The canonical SMILES for [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol is Cc1cc2c(c(CO)c1CCCl)CC(C)(C)C2.
What is the InChIKey of [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol?
The InChIKey is YRVKHQPHSAAEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-16/h6,17H,4-5,7-9H2,1-3H3.
What are the key properties of [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol?
[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol has a molecular weight of 252.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methanol is sourced from PubChem (CID 10682272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).