CID 88533014

C14H13AsO — CID 88533014

IUPAC—
SMILESCCOc1cccc(-c2ccccc2[As])c1
InChIInChI=1S/C14H13AsO/c1-2-16-12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,2H2,1H3
InChIKeyIIJQGSCQQUYZBK-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.55
Rot. Bonds3

About CID 88533014

CID 88533014 (PubChem CID 88533014) has the molecular formula C14H13AsO and a molecular weight of 272.18 g/mol.

Molecular Properties

Compound NameCID 88533014
PubChem CID88533014
Molecular FormulaC14H13AsO
Molecular Weight272.18 g/mol
Exact Mass272.02
IUPAC Name—
SMILESCCOc1cccc(-c2ccccc2[As])c1
InChIInChI=1S/C14H13AsO/c1-2-16-12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,2H2,1H3
InChIKeyIIJQGSCQQUYZBK-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-ethoxyphenyl)-1H-pyridin-2-one
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3-(3-ethoxyphenyl)-2-methylbenzoic acid
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3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
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7,29-bis(3-ethoxyphenyl)dodecacyclo[31.11.1.111,19.02,32.04,30.05,27.08,26.010,24.013,18.035,40.041,45.023,46]hexatetraconta-1(44),2,4(30),5,7,9,11,13,15,17,19(46),20,22,24,26,28,31,33,35,37,39,41(45),42-tricosaene
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CID 106519902

Frequently Asked Questions

What is the IUPAC name of CID 88533014?
The IUPAC name of CID 88533014 (CID 88533014) is not available.
What is the SMILES notation for CID 88533014?
The canonical SMILES for CID 88533014 is CCOc1cccc(-c2ccccc2[As])c1.
What is the InChIKey of CID 88533014?
The InChIKey is IIJQGSCQQUYZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13AsO/c1-2-16-12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,2H2,1H3.
What are the key properties of CID 88533014?
CID 88533014 has a molecular weight of 272.18 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88533014 is sourced from PubChem (CID 88533014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).