CID 11673102

C13H14O4 — CID 11673102

IUPAC—
SMILESc1ccc2c(c1)CC1(OCCO1)C21OCCO1
InChIInChI=1S/C13H14O4/c1-2-4-11-10(3-1)9-12(14-5-6-15-12)13(11)16-7-8-17-13/h1-4H,5-9H2
InChIKeyFCTKRVWMVMIBFG-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.19
Rot. Bonds

About CID 11673102

CID 11673102 (PubChem CID 11673102) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol.

Molecular Properties

Compound NameCID 11673102
PubChem CID11673102
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name—
SMILESc1ccc2c(c1)CC1(OCCO1)C21OCCO1
InChIInChI=1S/C13H14O4/c1-2-4-11-10(3-1)9-12(14-5-6-15-12)13(11)16-7-8-17-13/h1-4H,5-9H2
InChIKeyFCTKRVWMVMIBFG-UHFFFAOYSA-N
XLogP1.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11673102?
The IUPAC name of CID 11673102 (CID 11673102) is not available.
What is the SMILES notation for CID 11673102?
The canonical SMILES for CID 11673102 is c1ccc2c(c1)CC1(OCCO1)C21OCCO1.
What is the InChIKey of CID 11673102?
The InChIKey is FCTKRVWMVMIBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-4-11-10(3-1)9-12(14-5-6-15-12)13(11)16-7-8-17-13/h1-4H,5-9H2.
What are the key properties of CID 11673102?
CID 11673102 has a molecular weight of 234.25 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11673102 is sourced from PubChem (CID 11673102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).