CID 135030986

C15H13O2 — CID 135030986

IUPAC—
SMILESO=C([CH]C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11,14,16H
InChIKeyQZVWGHXFSVCRRM-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.81
Rot. Bonds4

About CID 135030986

CID 135030986 (PubChem CID 135030986) has the molecular formula C15H13O2 and a molecular weight of 225.27 g/mol.

Molecular Properties

Compound NameCID 135030986
PubChem CID135030986
Molecular FormulaC15H13O2
Molecular Weight225.27 g/mol
Exact Mass225.09
IUPAC Name—
SMILESO=C([CH]C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11,14,16H
InChIKeyQZVWGHXFSVCRRM-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102212500
2-oxo-2-phenylethanethial;hydrofluoride
CID 174571651
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
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1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042

Frequently Asked Questions

What is the IUPAC name of CID 135030986?
The IUPAC name of CID 135030986 (CID 135030986) is not available.
What is the SMILES notation for CID 135030986?
The canonical SMILES for CID 135030986 is O=C([CH]C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 135030986?
The InChIKey is QZVWGHXFSVCRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11,14,16H.
What are the key properties of CID 135030986?
CID 135030986 has a molecular weight of 225.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135030986 is sourced from PubChem (CID 135030986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).