(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol

C12H16O3 — CID 134968733

IUPAC(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCO[C@@H]1c2ccccc2OC(C)(C)[C@H]1O
InChIInChI=1S/C12H16O3/c1-12(2)11(13)10(14-3)8-6-4-5-7-9(8)15-12/h4-7,10-11,13H,1-3H3/t10-,11+/m1/s1
InChIKeyFHZKHZICTZCTQM-MNOVXSKESA-N
MW208.26 g/mol
LogP1.91
Rot. Bonds1

About (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol

(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol (PubChem CID 134968733) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
PubChem CID134968733
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCO[C@@H]1c2ccccc2OC(C)(C)[C@H]1O
InChIInChI=1S/C12H16O3/c1-12(2)11(13)10(14-3)8-6-4-5-7-9(8)15-12/h4-7,10-11,13H,1-3H3/t10-,11+/m1/s1
InChIKeyFHZKHZICTZCTQM-MNOVXSKESA-N
XLogP1.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
(3-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) carbamate
CID 154161805
(3R,4S)-4-(dimethylamino)-2,2-dimethyl-3,4-dihydrochromen-3-ol;hydrochloride
CID 70620580
ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
CID 90742078
(3S,4R)-4-anilino-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134962295
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
(2S,4S)-2,4-dimethoxy-2-methyl-3,4-dihydrochromene
CID 101362429
N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701101
(2S,3S,4S)-3-bromo-2,4-dimethoxy-2-(4-methylphenyl)-3,4-dihydrochromene
CID 10713728
(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187158

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The IUPAC name of (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol (CID 134968733) is (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol.
What is the SMILES notation for (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The canonical SMILES for (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol is CO[C@@H]1c2ccccc2OC(C)(C)[C@H]1O.
What is the InChIKey of (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The InChIKey is FHZKHZICTZCTQM-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2)11(13)10(14-3)8-6-4-5-7-9(8)15-12/h4-7,10-11,13H,1-3H3/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol?
(3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol is sourced from PubChem (CID 134968733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).