2-(3-Chloropropyl)-2,5,7,8-tetramethyl-6-chromanol

HCID 129598

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Basic information

CAS: 122148-72-5
Standard SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCl)O2
InChIKey: APTOFCGQYPRQPD-UHFFFAOYSA-N
Molecular formula: C16H23ClO2
Average molar mass: 282.8 g/mol
Monoisotopic mass: 282.1386577

Overview

structure given in first source

Names & identifiers

Preferred name: 2-(3-Chloropropyl)-2,5,7,8-tetramethyl-6-chromanol
IUPAC: 2-(3-chloropropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
English name: 2-(3-chloropropyl)-2,5,7,8-tetramethyl-6-chromanol
Molecular weight: 0

Names & synonyms

2-CTC2-(3-Chloropropyl)-2,5,7,8-tetramethyl-6-chromanol122148-72-5RefChem:84233130078-03-4SCHEMBL29356916DTXSID809240982-(3-Chloropropyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol

Database identifiers

CAS: 122148-72-5
PubChem CID: 129598
DTXSID: DTXSID80924098

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 309

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