(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol

C20H24O4 — CID 174183295

IUPAC(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol
SMILESCO[C@@]1(c2ccccc2C)c2ccccc2[C@@](C)(OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H24O4/c1-13-9-5-6-10-14(13)20(24-4)16-12-8-7-11-15(16)19(2,23-3)17(21)18(20)22/h5-12,17-18,21-22H,1-4H3/t17-,18+,19+,20-/m0/s1
InChIKeyMNHIDABULCBLIH-NMLBUPMWSA-N
MW328.41 g/mol
LogP2.48
Rot. Bonds3

About (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol

(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol (PubChem CID 174183295) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol
PubChem CID174183295
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol
SMILESCO[C@@]1(c2ccccc2C)c2ccccc2[C@@](C)(OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H24O4/c1-13-9-5-6-10-14(13)20(24-4)16-12-8-7-11-15(16)19(2,23-3)17(21)18(20)22/h5-12,17-18,21-22H,1-4H3/t17-,18+,19+,20-/m0/s1
InChIKeyMNHIDABULCBLIH-NMLBUPMWSA-N
XLogP2.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol?
The IUPAC name of (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol (CID 174183295) is (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol.
What is the SMILES notation for (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol?
The canonical SMILES for (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol is CO[C@@]1(c2ccccc2C)c2ccccc2[C@@](C)(OC)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol?
The InChIKey is MNHIDABULCBLIH-NMLBUPMWSA-N. The full InChI is InChI=1S/C20H24O4/c1-13-9-5-6-10-14(13)20(24-4)16-12-8-7-11-15(16)19(2,23-3)17(21)18(20)22/h5-12,17-18,21-22H,1-4H3/t17-,18+,19+,20-/m0/s1.
What are the key properties of (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol?
(1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol has a molecular weight of 328.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-1,4-dimethoxy-1-methyl-4-(2-methylphenyl)-2,3-dihydronaphthalene-2,3-diol is sourced from PubChem (CID 174183295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).