methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate

C20H22O3 — CID 134949480

IUPACmethyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)c2ccccc2C[C@@]1(O)C(C)C
InChIInChI=1S/C20H22O3/c1-14(2)19(22)13-15-9-7-8-12-17(15)20(19,18(21)23-3)16-10-5-4-6-11-16/h4-12,14,22H,13H2,1-3H3/t19-,20+/m1/s1
InChIKeyDOGGPEBFJVTPBN-UXHICEINSA-N
MW310.39 g/mol
LogP3.09
Rot. Bonds3

About methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate

methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate (PubChem CID 134949480) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate
PubChem CID134949480
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Namemethyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)c2ccccc2C[C@@]1(O)C(C)C
InChIInChI=1S/C20H22O3/c1-14(2)19(22)13-15-9-7-8-12-17(15)20(19,18(21)23-3)16-10-5-4-6-11-16/h4-12,14,22H,13H2,1-3H3/t19-,20+/m1/s1
InChIKeyDOGGPEBFJVTPBN-UXHICEINSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate (CID 134949480) is methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate is COC(=O)[C@]1(c2ccccc2)c2ccccc2C[C@@]1(O)C(C)C.
What is the InChIKey of methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate?
The InChIKey is DOGGPEBFJVTPBN-UXHICEINSA-N. The full InChI is InChI=1S/C20H22O3/c1-14(2)19(22)13-15-9-7-8-12-17(15)20(19,18(21)23-3)16-10-5-4-6-11-16/h4-12,14,22H,13H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate?
methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-hydroxy-1-phenyl-2-propan-2-yl-3H-indene-1-carboxylate is sourced from PubChem (CID 134949480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).