CID 172849383

C8H10NaO2 — CID 172849383

IUPAC—
SMILESCOc1cccc(OC)c1.[Na]
InChIInChI=1S/C8H10O2.Na/c1-9-7-4-3-5-8(6-7)10-2;/h3-6H,1-2H3;
InChIKeyXWAHZSROKSTQGM-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.32
Rot. Bonds2

About CID 172849383

CID 172849383 (PubChem CID 172849383) has the molecular formula C8H10NaO2 and a molecular weight of 161.16 g/mol.

Molecular Properties

Compound NameCID 172849383
PubChem CID172849383
Molecular FormulaC8H10NaO2
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name—
SMILESCOc1cccc(OC)c1.[Na]
InChIInChI=1S/C8H10O2.Na/c1-9-7-4-3-5-8(6-7)10-2;/h3-6H,1-2H3;
InChIKeyXWAHZSROKSTQGM-UHFFFAOYSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 172849383?
The IUPAC name of CID 172849383 (CID 172849383) is not available.
What is the SMILES notation for CID 172849383?
The canonical SMILES for CID 172849383 is COc1cccc(OC)c1.[Na].
What is the InChIKey of CID 172849383?
The InChIKey is XWAHZSROKSTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.Na/c1-9-7-4-3-5-8(6-7)10-2;/h3-6H,1-2H3;.
What are the key properties of CID 172849383?
CID 172849383 has a molecular weight of 161.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172849383 is sourced from PubChem (CID 172849383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).