(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol

C14H20O3 — CID 56957518

IUPAC(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESCOc1cc2c(cc1C)O[C@@H]([C@H](C)O)C[C@H]2C
InChIInChI=1S/C14H20O3/c1-8-5-13(10(3)15)17-14-6-9(2)12(16-4)7-11(8)14/h6-8,10,13,15H,5H2,1-4H3/t8-,10+,13-/m1/s1
InChIKeyMNZACXFPZOIUGL-DFAYQTQMSA-N
MW236.31 g/mol
LogP2.64
Rot. Bonds2

About (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol

(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol (PubChem CID 56957518) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol
PubChem CID56957518
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESCOc1cc2c(cc1C)O[C@@H]([C@H](C)O)C[C@H]2C
InChIInChI=1S/C14H20O3/c1-8-5-13(10(3)15)17-14-6-9(2)12(16-4)7-11(8)14/h6-8,10,13,15H,5H2,1-4H3/t8-,10+,13-/m1/s1
InChIKeyMNZACXFPZOIUGL-DFAYQTQMSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol with MolForge

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Related Compounds

8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-1-benzoxocin-3-one
CID 11402783
(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
CID 25269693
(1R,3R)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
CID 102423808
(1R)-7-methoxy-1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
CID 162910132
6-methoxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 74051581
methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate
CID 134861871
6-methoxy-7-methyl-2,3-dihydrochromen-4-one
CID 55297174
(1S,8R,9S)-5-methoxy-4,8-dimethyl-10-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 46846153
(3R,5S)-5-ethenyl-7-methoxy-2,2,8-trimethyl-4,5-dihydro-3H-1-benzoxepin-3-ol
CID 101446235
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene
CID 25269348

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol (CID 56957518) is (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol is COc1cc2c(cc1C)O[C@@H]([C@H](C)O)C[C@H]2C.
What is the InChIKey of (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol?
The InChIKey is MNZACXFPZOIUGL-DFAYQTQMSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-5-13(10(3)15)17-14-6-9(2)12(16-4)7-11(8)14/h6-8,10,13,15H,5H2,1-4H3/t8-,10+,13-/m1/s1.
What are the key properties of (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol?
(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol is sourced from PubChem (CID 56957518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).