(3S)-3-diphenylphosphanylheptan-4-one

C19H23OP — CID 11823087

IUPAC(3S)-3-diphenylphosphanylheptan-4-one
SMILESCCCC(=O)[C@H](CC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23OP/c1-3-11-18(20)19(4-2)21(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,19H,3-4,11H2,1-2H3/t19-/m0/s1
InChIKeyUSHXJRRMFTUOEH-IBGZPJMESA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds7

About (3S)-3-diphenylphosphanylheptan-4-one

(3S)-3-diphenylphosphanylheptan-4-one (PubChem CID 11823087) has the molecular formula C19H23OP and a molecular weight of 298.37 g/mol. Its IUPAC name is (3S)-3-diphenylphosphanylheptan-4-one.

Molecular Properties

Compound Name(3S)-3-diphenylphosphanylheptan-4-one
PubChem CID11823087
Molecular FormulaC19H23OP
Molecular Weight298.37 g/mol
Exact Mass298.15
IUPAC Name(3S)-3-diphenylphosphanylheptan-4-one
SMILESCCCC(=O)[C@H](CC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23OP/c1-3-11-18(20)19(4-2)21(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,19H,3-4,11H2,1-2H3/t19-/m0/s1
InChIKeyUSHXJRRMFTUOEH-IBGZPJMESA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphanylundecanoic acid
CID 140969530
(2S)-2-ethyl-3-oxohexanoic acid
CID 92975200
2-diphenylphosphanylpropanoic acid
CID 14902743
1-amino-2-phenylhexan-3-one
CID 116566947
chromium;2-ethyl-3-oxohexanoic acid
CID 172761906
1-diphenylphosphanylethyl propanoate
CID 150036156
butanoate;tetraphenylphosphanium
CID 146567473
2-oxopentyl(triphenyl)phosphanium
CID 20542903
1-methoxy-2-phenylhexan-3-one
CID 103466352
1-phenylbutan-1-one
CID 10315
butanoyloxy(triphenyl)phosphanium
CID 57167471
CID 173460616
CID 173460616

Frequently Asked Questions

What is the IUPAC name of (3S)-3-diphenylphosphanylheptan-4-one?
The IUPAC name of (3S)-3-diphenylphosphanylheptan-4-one (CID 11823087) is (3S)-3-diphenylphosphanylheptan-4-one.
What is the SMILES notation for (3S)-3-diphenylphosphanylheptan-4-one?
The canonical SMILES for (3S)-3-diphenylphosphanylheptan-4-one is CCCC(=O)[C@H](CC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-diphenylphosphanylheptan-4-one?
The InChIKey is USHXJRRMFTUOEH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23OP/c1-3-11-18(20)19(4-2)21(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,19H,3-4,11H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-3-diphenylphosphanylheptan-4-one?
(3S)-3-diphenylphosphanylheptan-4-one has a molecular weight of 298.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-diphenylphosphanylheptan-4-one is sourced from PubChem (CID 11823087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).