CID 70139665

C21H16O2Si — CID 70139665

IUPAC—
SMILESC1=C[Si]C=C1.O=C(Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C17H12O2.C4H4Si/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16;1-2-4-5-3-1/h1-12H;1-4H
InChIKeyGAVXCVORZIDXST-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.79
Rot. Bonds2

About CID 70139665

CID 70139665 (PubChem CID 70139665) has the molecular formula C21H16O2Si and a molecular weight of 328.44 g/mol.

Molecular Properties

Compound NameCID 70139665
PubChem CID70139665
Molecular FormulaC21H16O2Si
Molecular Weight328.44 g/mol
Exact Mass328.09
IUPAC Name—
SMILESC1=C[Si]C=C1.O=C(Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C17H12O2.C4H4Si/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16;1-2-4-5-3-1/h1-12H;1-4H
InChIKeyGAVXCVORZIDXST-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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naphthalen-2-yl 4-(2-phenylethoxy)benzoate
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[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
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CID 4643274
naphthalen-2-yl 4-butylbenzoate
CID 532284
naphthalen-2-yl 4-(azetidin-3-yloxy)benzoate
CID 167812440
naphthalen-2-yl 3,4,5-trimethoxybenzoate
CID 962053
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
naphthalen-2-yl 4-hexoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of CID 70139665?
The IUPAC name of CID 70139665 (CID 70139665) is not available.
What is the SMILES notation for CID 70139665?
The canonical SMILES for CID 70139665 is C1=C[Si]C=C1.O=C(Oc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of CID 70139665?
The InChIKey is GAVXCVORZIDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2.C4H4Si/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16;1-2-4-5-3-1/h1-12H;1-4H.
What are the key properties of CID 70139665?
CID 70139665 has a molecular weight of 328.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70139665 is sourced from PubChem (CID 70139665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).