(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol

C18H22O4 — CID 174183293

IUPAC(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol
SMILESCO[C@@]1(C2C=CC=C2)c2ccccc2[C@@](C)(OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H22O4/c1-17(21-2)13-10-6-7-11-14(13)18(22-3,16(20)15(17)19)12-8-4-5-9-12/h4-12,15-16,19-20H,1-3H3/t15-,16+,17+,18-/m0/s1
InChIKeyTWFSFOARIQFNIQ-MLHJIOFPSA-N
MW302.37 g/mol
LogP1.87
Rot. Bonds3

About (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol

(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol (PubChem CID 174183293) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol
PubChem CID174183293
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol
SMILESCO[C@@]1(C2C=CC=C2)c2ccccc2[C@@](C)(OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H22O4/c1-17(21-2)13-10-6-7-11-14(13)18(22-3,16(20)15(17)19)12-8-4-5-9-12/h4-12,15-16,19-20H,1-3H3/t15-,16+,17+,18-/m0/s1
InChIKeyTWFSFOARIQFNIQ-MLHJIOFPSA-N
XLogP1.87
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol?
The IUPAC name of (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol (CID 174183293) is (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol.
What is the SMILES notation for (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol?
The canonical SMILES for (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol is CO[C@@]1(C2C=CC=C2)c2ccccc2[C@@](C)(OC)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol?
The InChIKey is TWFSFOARIQFNIQ-MLHJIOFPSA-N. The full InChI is InChI=1S/C18H22O4/c1-17(21-2)13-10-6-7-11-14(13)18(22-3,16(20)15(17)19)12-8-4-5-9-12/h4-12,15-16,19-20H,1-3H3/t15-,16+,17+,18-/m0/s1.
What are the key properties of (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol?
(1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol has a molecular weight of 302.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-1-cyclopenta-2,4-dien-1-yl-1,4-dimethoxy-4-methyl-2,3-dihydronaphthalene-2,3-diol is sourced from PubChem (CID 174183293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).