CID 70464798

C15H14NaO2 — CID 70464798

IUPAC—
SMILESO=C(CCc1ccccc1)Oc1ccccc1.[Na]
InChIInChI=1S/C15H14O2.Na/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;/h1-10H,11-12H2;
InChIKeyMEGXGABGBFYVCU-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.84
Rot. Bonds4

About CID 70464798

CID 70464798 (PubChem CID 70464798) has the molecular formula C15H14NaO2 and a molecular weight of 249.27 g/mol.

Molecular Properties

Compound NameCID 70464798
PubChem CID70464798
Molecular FormulaC15H14NaO2
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name—
SMILESO=C(CCc1ccccc1)Oc1ccccc1.[Na]
InChIInChI=1S/C15H14O2.Na/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;/h1-10H,11-12H2;
InChIKeyMEGXGABGBFYVCU-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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phenyl 5-phenylpentanoate
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CID 175021775
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phenyl propanoate;3-phenylpropanoic acid
CID 157245638
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
[4-(4-cyanophenyl)phenyl] 3-phenylpropanoate
CID 3875588
diphenyl nonanedioate
CID 18428919
(4-hydroxyphenyl) 4-phenylbutanoate
CID 66680445
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate
CID 91017548

Frequently Asked Questions

What is the IUPAC name of CID 70464798?
The IUPAC name of CID 70464798 (CID 70464798) is not available.
What is the SMILES notation for CID 70464798?
The canonical SMILES for CID 70464798 is O=C(CCc1ccccc1)Oc1ccccc1.[Na].
What is the InChIKey of CID 70464798?
The InChIKey is MEGXGABGBFYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.Na/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;/h1-10H,11-12H2;.
What are the key properties of CID 70464798?
CID 70464798 has a molecular weight of 249.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70464798 is sourced from PubChem (CID 70464798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).