(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol

C11H14O2 — CID 164679988

IUPAC(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
SMILESC[C@@H]1c2ccccc2OC(O)[C@@H]1C
InChIInChI=1S/C11H14O2/c1-7-8(2)11(12)13-10-6-4-3-5-9(7)10/h3-8,11-12H,1-2H3/t7-,8+,11?/m0/s1
InChIKeyOLGPDQRVILIPMD-DLLGPJQISA-N
MW178.23 g/mol
LogP2.14
Rot. Bonds

About (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol

(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol (PubChem CID 164679988) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
PubChem CID164679988
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
SMILESC[C@@H]1c2ccccc2OC(O)[C@@H]1C
InChIInChI=1S/C11H14O2/c1-7-8(2)11(12)13-10-6-4-3-5-9(7)10/h3-8,11-12H,1-2H3/t7-,8+,11?/m0/s1
InChIKeyOLGPDQRVILIPMD-DLLGPJQISA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-methyl-4-(nitromethyl)-3,4-dihydro-2H-chromen-2-ol
CID 53359511
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CID 853425
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
CID 11194617
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
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CID 3396940
(2R,3S,3aS,4S,9bS)-2,3-dimethyl-4-(2-methylprop-1-enyl)-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]chromene
CID 100881558
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol (CID 164679988) is (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol is C[C@@H]1c2ccccc2OC(O)[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is OLGPDQRVILIPMD-DLLGPJQISA-N. The full InChI is InChI=1S/C11H14O2/c1-7-8(2)11(12)13-10-6-4-3-5-9(7)10/h3-8,11-12H,1-2H3/t7-,8+,11?/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol?
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 178.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 164679988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).