methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate

C19H20O2 — CID 132558192

IUPACmethyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)[C@H]1C=Cc2cc3ccccc3cc2C1
InChIInChI=1S/C19H20O2/c1-19(2,18(20)21-3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-11,17H,12H2,1-3H3/t17-/m0/s1
InChIKeyJBHRCIHISMMGBB-KRWDZBQOSA-N
MW280.37 g/mol
LogP4.22
Rot. Bonds2

About methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate

methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate (PubChem CID 132558192) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate
PubChem CID132558192
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namemethyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)[C@H]1C=Cc2cc3ccccc3cc2C1
InChIInChI=1S/C19H20O2/c1-19(2,18(20)21-3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-11,17H,12H2,1-3H3/t17-/m0/s1
InChIKeyJBHRCIHISMMGBB-KRWDZBQOSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate (CID 132558192) is methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate is COC(=O)C(C)(C)[C@H]1C=Cc2cc3ccccc3cc2C1.
What is the InChIKey of methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate?
The InChIKey is JBHRCIHISMMGBB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2,18(20)21-3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-11,17H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate?
methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate has a molecular weight of 280.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate is sourced from PubChem (CID 132558192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).