methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate

C25H26O2 — CID 170179380

IUPACmethyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc([C@H](CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H26O2/c1-27-25(26)19-22-13-15-23(16-14-22)24(18-21-10-6-3-7-11-21)17-12-20-8-4-2-5-9-20/h2-11,13-16,24H,12,17-19H2,1H3/t24-/m1/s1
InChIKeyUFCQGCUKXUGRGJ-XMMPIXPASA-N
MW358.48 g/mol
LogP5.36
Rot. Bonds8

About methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate

methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate (PubChem CID 170179380) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate
PubChem CID170179380
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Namemethyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc([C@H](CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H26O2/c1-27-25(26)19-22-13-15-23(16-14-22)24(18-21-10-6-3-7-11-21)17-12-20-8-4-2-5-9-20/h2-11,13-16,24H,12,17-19H2,1H3/t24-/m1/s1
InChIKeyUFCQGCUKXUGRGJ-XMMPIXPASA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate (CID 170179380) is methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate is COC(=O)Cc1ccc([C@H](CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate?
The InChIKey is UFCQGCUKXUGRGJ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26O2/c1-27-25(26)19-22-13-15-23(16-14-22)24(18-21-10-6-3-7-11-21)17-12-20-8-4-2-5-9-20/h2-11,13-16,24H,12,17-19H2,1H3/t24-/m1/s1.
What are the key properties of methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate?
methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate has a molecular weight of 358.48 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate is sourced from PubChem (CID 170179380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).