(3S)-3-methoxy-1,5-diphenylpentan-1-one

C18H20O2 — CID 166632735

IUPAC(3S)-3-methoxy-1,5-diphenylpentan-1-one
SMILESCO[C@@H](CCc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-17(13-12-15-8-4-2-5-9-15)14-18(19)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyNORAXXZWLVRTBQ-KRWDZBQOSA-N
MW268.36 g/mol
LogP3.91
Rot. Bonds7

About (3S)-3-methoxy-1,5-diphenylpentan-1-one

(3S)-3-methoxy-1,5-diphenylpentan-1-one (PubChem CID 166632735) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3S)-3-methoxy-1,5-diphenylpentan-1-one.

Molecular Properties

Compound Name(3S)-3-methoxy-1,5-diphenylpentan-1-one
PubChem CID166632735
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(3S)-3-methoxy-1,5-diphenylpentan-1-one
SMILESCO[C@@H](CCc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-17(13-12-15-8-4-2-5-9-15)14-18(19)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyNORAXXZWLVRTBQ-KRWDZBQOSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-1,5-diphenylpentan-1-one?
The IUPAC name of (3S)-3-methoxy-1,5-diphenylpentan-1-one (CID 166632735) is (3S)-3-methoxy-1,5-diphenylpentan-1-one.
What is the SMILES notation for (3S)-3-methoxy-1,5-diphenylpentan-1-one?
The canonical SMILES for (3S)-3-methoxy-1,5-diphenylpentan-1-one is CO[C@@H](CCc1ccccc1)CC(=O)c1ccccc1.
What is the InChIKey of (3S)-3-methoxy-1,5-diphenylpentan-1-one?
The InChIKey is NORAXXZWLVRTBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-17(13-12-15-8-4-2-5-9-15)14-18(19)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-methoxy-1,5-diphenylpentan-1-one?
(3S)-3-methoxy-1,5-diphenylpentan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-1,5-diphenylpentan-1-one is sourced from PubChem (CID 166632735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).