CID 172851102

C10H14NaO2 — CID 172851102

IUPAC—
SMILESCC(C)Cc1ccc(O)cc1O.[Na]
InChIInChI=1S/C10H14O2.Na/c1-7(2)5-8-3-4-9(11)6-10(8)12;/h3-4,6-7,11-12H,5H2,1-2H3;
InChIKeyYBSKHSPDTCSTCB-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.92
Rot. Bonds2

About CID 172851102

CID 172851102 (PubChem CID 172851102) has the molecular formula C10H14NaO2 and a molecular weight of 189.21 g/mol.

Molecular Properties

Compound NameCID 172851102
PubChem CID172851102
Molecular FormulaC10H14NaO2
Molecular Weight189.21 g/mol
Exact Mass189.09
IUPAC Name—
SMILESCC(C)Cc1ccc(O)cc1O.[Na]
InChIInChI=1S/C10H14O2.Na/c1-7(2)5-8-3-4-9(11)6-10(8)12;/h3-4,6-7,11-12H,5H2,1-2H3;
InChIKeyYBSKHSPDTCSTCB-UHFFFAOYSA-N
XLogP1.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172851102?
The IUPAC name of CID 172851102 (CID 172851102) is not available.
What is the SMILES notation for CID 172851102?
The canonical SMILES for CID 172851102 is CC(C)Cc1ccc(O)cc1O.[Na].
What is the InChIKey of CID 172851102?
The InChIKey is YBSKHSPDTCSTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.Na/c1-7(2)5-8-3-4-9(11)6-10(8)12;/h3-4,6-7,11-12H,5H2,1-2H3;.
What are the key properties of CID 172851102?
CID 172851102 has a molecular weight of 189.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172851102 is sourced from PubChem (CID 172851102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).