(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol

C17H26O2 — CID 104950632

IUPAC(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCCCCC1(C)C[C@H](O)c2cc(C)ccc2O1
InChIInChI=1S/C17H26O2/c1-4-5-6-7-10-17(3)12-15(18)14-11-13(2)8-9-16(14)19-17/h8-9,11,15,18H,4-7,10,12H2,1-3H3/t15-,17?/m0/s1
InChIKeyAXMKNUVKWDBYMY-MYJWUSKBSA-N
MW262.39 g/mol
LogP4.54
Rot. Bonds5

About (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol

(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 104950632) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID104950632
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCCCCC1(C)C[C@H](O)c2cc(C)ccc2O1
InChIInChI=1S/C17H26O2/c1-4-5-6-7-10-17(3)12-15(18)14-11-13(2)8-9-16(14)19-17/h8-9,11,15,18H,4-7,10,12H2,1-3H3/t15-,17?/m0/s1
InChIKeyAXMKNUVKWDBYMY-MYJWUSKBSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.54
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

2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol
CID 114714538
(4S)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949004
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
CID 104950386
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
(4S)-6-bromo-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 104951175
(4R)-6-chloro-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 104949160
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151

Frequently Asked Questions

What is the IUPAC name of (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol (CID 104950632) is (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol is CCCCCCC1(C)C[C@H](O)c2cc(C)ccc2O1.
What is the InChIKey of (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is AXMKNUVKWDBYMY-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-5-6-7-10-17(3)12-15(18)14-11-13(2)8-9-16(14)19-17/h8-9,11,15,18H,4-7,10,12H2,1-3H3/t15-,17?/m0/s1.
What are the key properties of (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol?
(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 262.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104950632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).