biphenylene;propan-2-one

C15H14O — CID 174440223

IUPACbiphenylene;propan-2-one
SMILESCC(C)=O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C3H6O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3(2)4/h1-8H;1-2H3
InChIKeyIDJNANUVISHEGM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.93
Rot. Bonds

About biphenylene;propan-2-one

biphenylene;propan-2-one (PubChem CID 174440223) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is biphenylene;propan-2-one.

Molecular Properties

Compound Namebiphenylene;propan-2-one
PubChem CID174440223
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Namebiphenylene;propan-2-one
SMILESCC(C)=O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C3H6O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3(2)4/h1-8H;1-2H3
InChIKeyIDJNANUVISHEGM-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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phenol;propan-2-one;hydrate
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(E)-5-fluoren-9-ylidenepent-3-en-2-one
CID 177483732
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-azulen-1-ylazulene;2-methylprop-2-enoic acid
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sodium;propan-2-one;toluene;hydroxide
CID 174689078

Frequently Asked Questions

What is the IUPAC name of biphenylene;propan-2-one?
The IUPAC name of biphenylene;propan-2-one (CID 174440223) is biphenylene;propan-2-one.
What is the SMILES notation for biphenylene;propan-2-one?
The canonical SMILES for biphenylene;propan-2-one is CC(C)=O.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;propan-2-one?
The InChIKey is IDJNANUVISHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C3H6O/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3(2)4/h1-8H;1-2H3.
What are the key properties of biphenylene;propan-2-one?
biphenylene;propan-2-one has a molecular weight of 210.28 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;propan-2-one is sourced from PubChem (CID 174440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).