chloroethene;diphenylmethanone

C15H13ClO — CID 159955636

IUPACchloroethene;diphenylmethanone
SMILESC=CCl.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C2H3Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3/h1-10H;2H,1H2
InChIKeyOCRFHEIBXXINRY-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.29
Rot. Bonds2

About chloroethene;diphenylmethanone

chloroethene;diphenylmethanone (PubChem CID 159955636) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is chloroethene;diphenylmethanone.

Molecular Properties

Compound Namechloroethene;diphenylmethanone
PubChem CID159955636
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Namechloroethene;diphenylmethanone
SMILESC=CCl.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C2H3Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3/h1-10H;2H,1H2
InChIKeyOCRFHEIBXXINRY-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone
CID 3102
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;gold
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bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
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CID 161284686

Frequently Asked Questions

What is the IUPAC name of chloroethene;diphenylmethanone?
The IUPAC name of chloroethene;diphenylmethanone (CID 159955636) is chloroethene;diphenylmethanone.
What is the SMILES notation for chloroethene;diphenylmethanone?
The canonical SMILES for chloroethene;diphenylmethanone is C=CCl.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of chloroethene;diphenylmethanone?
The InChIKey is OCRFHEIBXXINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C2H3Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-3/h1-10H;2H,1H2.
What are the key properties of chloroethene;diphenylmethanone?
chloroethene;diphenylmethanone has a molecular weight of 244.72 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;diphenylmethanone is sourced from PubChem (CID 159955636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).