CID 161224902

C9H12NaO — CID 161224902

IUPAC—
SMILESCCCOc1ccccc1.[Na]
InChIInChI=1S/C9H12O.Na/c1-2-8-10-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;
InChIKeyUXZIJMMHFBRCBW-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.09
Rot. Bonds3

About CID 161224902

CID 161224902 (PubChem CID 161224902) has the molecular formula C9H12NaO and a molecular weight of 159.18 g/mol.

Molecular Properties

Compound NameCID 161224902
PubChem CID161224902
Molecular FormulaC9H12NaO
Molecular Weight159.18 g/mol
Exact Mass159.08
IUPAC Name—
SMILESCCCOc1ccccc1.[Na]
InChIInChI=1S/C9H12O.Na/c1-2-8-10-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;
InChIKeyUXZIJMMHFBRCBW-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 161224902?
The IUPAC name of CID 161224902 (CID 161224902) is not available.
What is the SMILES notation for CID 161224902?
The canonical SMILES for CID 161224902 is CCCOc1ccccc1.[Na].
What is the InChIKey of CID 161224902?
The InChIKey is UXZIJMMHFBRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.Na/c1-2-8-10-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;.
What are the key properties of CID 161224902?
CID 161224902 has a molecular weight of 159.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161224902 is sourced from PubChem (CID 161224902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).