methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate

C19H24O4 — CID 162940293

IUPACmethyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate
SMILESCOC(=O)Cc1cc(O)cc2c1O[C@](C)(CCC=C(C)C)C=C2
InChIInChI=1S/C19H24O4/c1-13(2)6-5-8-19(3)9-7-14-10-16(20)11-15(18(14)23-19)12-17(21)22-4/h6-7,9-11,20H,5,8,12H2,1-4H3/t19-/m1/s1
InChIKeyZWEPBJKMGSZZLH-LJQANCHMSA-N
MW316.40 g/mol
LogP4.02
Rot. Bonds5

About methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate

methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate (PubChem CID 162940293) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate
PubChem CID162940293
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Namemethyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate
SMILESCOC(=O)Cc1cc(O)cc2c1O[C@](C)(CCC=C(C)C)C=C2
InChIInChI=1S/C19H24O4/c1-13(2)6-5-8-19(3)9-7-14-10-16(20)11-15(18(14)23-19)12-17(21)22-4/h6-7,9-11,20H,5,8,12H2,1-4H3/t19-/m1/s1
InChIKeyZWEPBJKMGSZZLH-LJQANCHMSA-N
XLogP4.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate?
The IUPAC name of methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate (CID 162940293) is methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate is COC(=O)Cc1cc(O)cc2c1O[C@](C)(CCC=C(C)C)C=C2.
What is the InChIKey of methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate?
The InChIKey is ZWEPBJKMGSZZLH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24O4/c1-13(2)6-5-8-19(3)9-7-14-10-16(20)11-15(18(14)23-19)12-17(21)22-4/h6-7,9-11,20H,5,8,12H2,1-4H3/t19-/m1/s1.
What are the key properties of methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate?
methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate has a molecular weight of 316.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate is sourced from PubChem (CID 162940293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).