methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate

C25H24O5 — CID 132594305

IUPACmethyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)c2c(cc(OC)cc2OC)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C25H24O5/c1-28-20-14-17-16-24(27,18-10-6-4-7-11-18)25(23(26)30-3,19-12-8-5-9-13-19)22(17)21(15-20)29-2/h4-15,27H,16H2,1-3H3/t24-,25+/m1/s1
InChIKeyDSWPMYWHKQMLBF-RPBOFIJWSA-N
MW404.46 g/mol
LogP3.61
Rot. Bonds5

About methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate

methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate (PubChem CID 132594305) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate
PubChem CID132594305
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Namemethyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)c2c(cc(OC)cc2OC)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C25H24O5/c1-28-20-14-17-16-24(27,18-10-6-4-7-11-18)25(23(26)30-3,19-12-8-5-9-13-19)22(17)21(15-20)29-2/h4-15,27H,16H2,1-3H3/t24-,25+/m1/s1
InChIKeyDSWPMYWHKQMLBF-RPBOFIJWSA-N
XLogP3.61
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate with MolForge

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Related Compounds

methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate
CID 132543637
methyl 3-oxo-4-(2,4,6-trimethoxyphenyl)chromene-4-carboxylate
CID 101086562
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
CID 172559489
[8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
CID 72817575
1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 70497227
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
CID 10697870

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate (CID 132594305) is methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate is COC(=O)[C@]1(c2ccccc2)c2c(cc(OC)cc2OC)C[C@@]1(O)c1ccccc1.
What is the InChIKey of methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate?
The InChIKey is DSWPMYWHKQMLBF-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H24O5/c1-28-20-14-17-16-24(27,18-10-6-4-7-11-18)25(23(26)30-3,19-12-8-5-9-13-19)22(17)21(15-20)29-2/h4-15,27H,16H2,1-3H3/t24-,25+/m1/s1.
What are the key properties of methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate?
methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate has a molecular weight of 404.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-hydroxy-5,7-dimethoxy-1,2-diphenyl-3H-indene-1-carboxylate is sourced from PubChem (CID 132594305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).