ethane;1-phenylpentan-1-one

C13H20O — CID 143728184

IUPACethane;1-phenylpentan-1-one
SMILESCC.CCCCC(=O)c1ccccc1
InChIInChI=1S/C11H14O.C2H6/c1-2-3-9-11(12)10-7-5-4-6-8-10;1-2/h4-8H,2-3,9H2,1H3;1-2H3
InChIKeyNDGKMDPVDWPRCF-UHFFFAOYSA-N
MW192.30 g/mol
LogP4.09
Rot. Bonds4

About ethane;1-phenylpentan-1-one

ethane;1-phenylpentan-1-one (PubChem CID 143728184) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;1-phenylpentan-1-one.

Molecular Properties

Compound Nameethane;1-phenylpentan-1-one
PubChem CID143728184
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;1-phenylpentan-1-one
SMILESCC.CCCCC(=O)c1ccccc1
InChIInChI=1S/C11H14O.C2H6/c1-2-3-9-11(12)10-7-5-4-6-8-10;1-2/h4-8H,2-3,9H2,1H3;1-2H3
InChIKeyNDGKMDPVDWPRCF-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylheptadecan-1-one
CID 577626
1-phenylbutan-1-one
CID 10315
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
1-phenylbutan-1-one;hydrobromide
CID 139638507
1,15-diphenylpentadecane-1,15-dione
CID 159981687
(4-pentanoylphenyl) benzoate
CID 175812207
1-phenylnonane-1,4-dione
CID 570990
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
methanethiol;1-phenylbutan-1-one
CID 143799522
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
4-pentylsulfonyl-1-phenylbutan-1-one
CID 107764488
(Z)-4-butyl-5-iodo-1-phenylnon-4-en-1-one
CID 11304057

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenylpentan-1-one?
The IUPAC name of ethane;1-phenylpentan-1-one (CID 143728184) is ethane;1-phenylpentan-1-one.
What is the SMILES notation for ethane;1-phenylpentan-1-one?
The canonical SMILES for ethane;1-phenylpentan-1-one is CC.CCCCC(=O)c1ccccc1.
What is the InChIKey of ethane;1-phenylpentan-1-one?
The InChIKey is NDGKMDPVDWPRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-2-3-9-11(12)10-7-5-4-6-8-10;1-2/h4-8H,2-3,9H2,1H3;1-2H3.
What are the key properties of ethane;1-phenylpentan-1-one?
ethane;1-phenylpentan-1-one has a molecular weight of 192.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenylpentan-1-one is sourced from PubChem (CID 143728184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).