[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene

C18H22O2 — CID 10400953

IUPAC[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
SMILESCO[C@H](C)[C@@H](c1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C18H22O2/c1-14(19-2)17(15-10-6-4-7-11-15)18(20-3)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t14-,17+,18+/m1/s1
InChIKeyDRLSPUOEMIFQLS-JLSDUUJJSA-N
MW270.37 g/mol
LogP4.19
Rot. Bonds6

About [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene

[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene (PubChem CID 10400953) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene.

Molecular Properties

Compound Name[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
PubChem CID10400953
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
SMILESCO[C@H](C)[C@@H](c1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C18H22O2/c1-14(19-2)17(15-10-6-4-7-11-15)18(20-3)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t14-,17+,18+/m1/s1
InChIKeyDRLSPUOEMIFQLS-JLSDUUJJSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene?
The IUPAC name of [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene (CID 10400953) is [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene.
What is the SMILES notation for [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene?
The canonical SMILES for [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene is CO[C@H](C)[C@@H](c1ccccc1)[C@@H](OC)c1ccccc1.
What is the InChIKey of [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene?
The InChIKey is DRLSPUOEMIFQLS-JLSDUUJJSA-N. The full InChI is InChI=1S/C18H22O2/c1-14(19-2)17(15-10-6-4-7-11-15)18(20-3)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t14-,17+,18+/m1/s1.
What are the key properties of [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene?
[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene has a molecular weight of 270.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene is sourced from PubChem (CID 10400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).