(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol

C17H26O2 — CID 104950454

IUPAC(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
SMILESCCC(C)CC1(CC)C[C@@H](O)c2cc(C)ccc2O1
InChIInChI=1S/C17H26O2/c1-5-12(3)10-17(6-2)11-15(18)14-9-13(4)7-8-16(14)19-17/h7-9,12,15,18H,5-6,10-11H2,1-4H3/t12?,15-,17?/m1/s1
InChIKeyFMZJVIKMFIHQSG-YAJUMTOWSA-N
MW262.39 g/mol
LogP4.40
Rot. Bonds4

About (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol

(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol (PubChem CID 104950454) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
PubChem CID104950454
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
SMILESCCC(C)CC1(CC)C[C@@H](O)c2cc(C)ccc2O1
InChIInChI=1S/C17H26O2/c1-5-12(3)10-17(6-2)11-15(18)14-9-13(4)7-8-16(14)19-17/h7-9,12,15,18H,5-6,10-11H2,1-4H3/t12?,15-,17?/m1/s1
InChIKeyFMZJVIKMFIHQSG-YAJUMTOWSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951969
(4R)-2-ethyl-7-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951740
(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950510
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114713216
(4S)-2-ethyl-6-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104946814
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
6-bromo-2-ethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-ol
CID 114715563
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175
(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950632

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol (CID 104950454) is (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol is CCC(C)CC1(CC)C[C@@H](O)c2cc(C)ccc2O1.
What is the InChIKey of (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol?
The InChIKey is FMZJVIKMFIHQSG-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-12(3)10-17(6-2)11-15(18)14-9-13(4)7-8-16(14)19-17/h7-9,12,15,18H,5-6,10-11H2,1-4H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol?
(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol has a molecular weight of 262.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104950454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).