6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol

C16H23ClO2 — CID 114714538

IUPAC6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol
SMILESCCCCCCC1(C)CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H23ClO2/c1-3-4-5-6-9-16(2)11-14(18)13-10-12(17)7-8-15(13)19-16/h7-8,10,14,18H,3-6,9,11H2,1-2H3
InChIKeyQXEONXHYXOUKPS-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.89
Rot. Bonds5

About 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol

6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 114714538) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID114714538
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol
SMILESCCCCCCC1(C)CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H23ClO2/c1-3-4-5-6-9-16(2)11-14(18)13-10-12(17)7-8-15(13)19-16/h7-8,10,14,18H,3-6,9,11H2,1-2H3
InChIKeyQXEONXHYXOUKPS-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949004
(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950632
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 104949160
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
(4S)-6-chloro-2-(2-methoxy-2-methylpropyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949008
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825045
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol (CID 114714538) is 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol is CCCCCCC1(C)CC(O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is QXEONXHYXOUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-3-4-5-6-9-16(2)11-14(18)13-10-12(17)7-8-15(13)19-16/h7-8,10,14,18H,3-6,9,11H2,1-2H3.
What are the key properties of 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol?
6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 282.81 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114714538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).