CID 12505640

C13H11O — CID 12505640

IUPAC—
SMILESO[C](c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKeyLXWWZECRYAXGID-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.99
Rot. Bonds2

About CID 12505640

CID 12505640 (PubChem CID 12505640) has the molecular formula C13H11O and a molecular weight of 183.23 g/mol.

Molecular Properties

Compound NameCID 12505640
PubChem CID12505640
Molecular FormulaC13H11O
Molecular Weight183.23 g/mol
Exact Mass183.08
IUPAC Name—
SMILESO[C](c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKeyLXWWZECRYAXGID-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
CID 101352816
CID 101352816
CID 102282703
CID 102282703
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
CID 11173820
CID 11173820
1-amino-2-phenylethene-1,2-diol;hydron
CID 131854255
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
diphenylmethanone
CID 3102
(E)-1,2-diphenylethene-1,2-dithiolate
CID 102075609

Frequently Asked Questions

What is the IUPAC name of CID 12505640?
The IUPAC name of CID 12505640 (CID 12505640) is not available.
What is the SMILES notation for CID 12505640?
The canonical SMILES for CID 12505640 is O[C](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 12505640?
The InChIKey is LXWWZECRYAXGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of CID 12505640?
CID 12505640 has a molecular weight of 183.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12505640 is sourced from PubChem (CID 12505640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).