(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C17H24O3 — CID 142093790

IUPAC(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESC=C(C)C(O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C17H24O3/c1-9(2)16(19)17(6)8-7-13-12(5)14(18)10(3)11(4)15(13)20-17/h16,18-19H,1,7-8H2,2-6H3/t16?,17-/m0/s1
InChIKeyOHVJGDSZQQDKIG-DJNXLDHESA-N
MW276.38 g/mol
LogP3.34
Rot. Bonds2

About (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 142093790) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID142093790
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESC=C(C)C(O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C17H24O3/c1-9(2)16(19)17(6)8-7-13-12(5)14(18)10(3)11(4)15(13)20-17/h16,18-19H,1,7-8H2,2-6H3/t16?,17-/m0/s1
InChIKeyOHVJGDSZQQDKIG-DJNXLDHESA-N
XLogP3.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)acetaldehyde
CID 87890937
2-[amino-(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 67900201
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one
CID 130709259
5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
CID 11543196
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
CID 69454131
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
CID 72523898
2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
CID 15024206
2,5,7,8-tetramethyl-2-(5-methylhexyl)-3,4-dihydrochromen-6-ol
CID 58280984
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922
(2R)-2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromen-6-ol
CID 147729867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 142093790) is (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is C=C(C)C(O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1.
What is the InChIKey of (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is OHVJGDSZQQDKIG-DJNXLDHESA-N. The full InChI is InChI=1S/C17H24O3/c1-9(2)16(19)17(6)8-7-13-12(5)14(18)10(3)11(4)15(13)20-17/h16,18-19H,1,7-8H2,2-6H3/t16?,17-/m0/s1.
What are the key properties of (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
(2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 276.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-hydroxy-2-methylprop-2-enyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 142093790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).