2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C17H25ClO2 — CID 11266464

IUPAC2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCCCCl)O2
InChIInChI=1S/C17H25ClO2/c1-11-12(2)16-14(13(3)15(11)19)7-9-17(4,20-16)8-5-6-10-18/h19H,5-10H2,1-4H3
InChIKeyZWQOQSUFFQYJKO-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.81
Rot. Bonds4

About 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 11266464) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID11266464
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCCCCl)O2
InChIInChI=1S/C17H25ClO2/c1-11-12(2)16-14(13(3)15(11)19)7-9-17(4,20-16)8-5-6-10-18/h19H,5-10H2,1-4H3
InChIKeyZWQOQSUFFQYJKO-UHFFFAOYSA-N
XLogP4.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 11266464) is 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCCl)O2.
What is the InChIKey of 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is ZWQOQSUFFQYJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-11-12(2)16-14(13(3)15(11)19)7-9-17(4,20-16)8-5-6-10-18/h19H,5-10H2,1-4H3.
What are the key properties of 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 296.84 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 11266464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).