CID 102315415

C23H18O — CID 102315415

IUPAC—
SMILESC=C([CH2+])C(c1ccccc1)=c1ccc(=C([O-])c2ccccc2)cc1
InChIInChI=1S/C23H18O/c1-17(2)22(18-9-5-3-6-10-18)19-13-15-21(16-14-19)23(24)20-11-7-4-8-12-20/h3-16H,1-2H2/b22-19-,23-21-
InChIKeyDQFYBGCJMMQHEP-UNJMICPPSA-N
MW310.40 g/mol
LogP2.79
Rot. Bonds3

About CID 102315415

CID 102315415 (PubChem CID 102315415) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol.

Molecular Properties

Compound NameCID 102315415
PubChem CID102315415
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name—
SMILESC=C([CH2+])C(c1ccccc1)=c1ccc(=C([O-])c2ccccc2)cc1
InChIInChI=1S/C23H18O/c1-17(2)22(18-9-5-3-6-10-18)19-13-15-21(16-14-19)23(24)20-11-7-4-8-12-20/h3-16H,1-2H2/b22-19-,23-21-
InChIKeyDQFYBGCJMMQHEP-UNJMICPPSA-N
XLogP2.79
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102315415?
The IUPAC name of CID 102315415 (CID 102315415) is not available.
What is the SMILES notation for CID 102315415?
The canonical SMILES for CID 102315415 is C=C([CH2+])C(c1ccccc1)=c1ccc(=C([O-])c2ccccc2)cc1.
What is the InChIKey of CID 102315415?
The InChIKey is DQFYBGCJMMQHEP-UNJMICPPSA-N. The full InChI is InChI=1S/C23H18O/c1-17(2)22(18-9-5-3-6-10-18)19-13-15-21(16-14-19)23(24)20-11-7-4-8-12-20/h3-16H,1-2H2/b22-19-,23-21-.
What are the key properties of CID 102315415?
CID 102315415 has a molecular weight of 310.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102315415 is sourced from PubChem (CID 102315415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).