CID 134837634

C21H21O2 — CID 134837634

IUPAC—
SMILESO=C(/C=C/CCC[CH]/C=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2/c22-20(18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)19-14-8-5-9-15-19/h4-17,22H,1-3H2/b17-11+,20-16-
InChIKeyYVARFZVYUFUCRX-IJKLSFDZSA-N
MW305.40 g/mol
LogP5.40
Rot. Bonds8

About CID 134837634

CID 134837634 (PubChem CID 134837634) has the molecular formula C21H21O2 and a molecular weight of 305.40 g/mol.

Molecular Properties

Compound NameCID 134837634
PubChem CID134837634
Molecular FormulaC21H21O2
Molecular Weight305.40 g/mol
Exact Mass305.15
IUPAC Name—
SMILESO=C(/C=C/CCC[CH]/C=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2/c22-20(18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)19-14-8-5-9-15-19/h4-17,22H,1-3H2/b17-11+,20-16-
InChIKeyYVARFZVYUFUCRX-IJKLSFDZSA-N
XLogP5.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134837634?
The IUPAC name of CID 134837634 (CID 134837634) is not available.
What is the SMILES notation for CID 134837634?
The canonical SMILES for CID 134837634 is O=C(/C=C/CCC[CH]/C=C(\O)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 134837634?
The InChIKey is YVARFZVYUFUCRX-IJKLSFDZSA-N. The full InChI is InChI=1S/C21H21O2/c22-20(18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)19-14-8-5-9-15-19/h4-17,22H,1-3H2/b17-11+,20-16-.
What are the key properties of CID 134837634?
CID 134837634 has a molecular weight of 305.40 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134837634 is sourced from PubChem (CID 134837634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).