CID 14592987

C16H14O3 — CID 14592987

IUPAC—
SMILESO=C1CC2(C=CC3(C=C2)OCCO3)c2ccccc21
InChIInChI=1S/C16H14O3/c17-14-11-15(13-4-2-1-3-12(13)14)5-7-16(8-6-15)18-9-10-19-16/h1-8H,9-11H2
InChIKeyNUCQBAIWBXBEOP-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.38
Rot. Bonds

About CID 14592987

CID 14592987 (PubChem CID 14592987) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol.

Molecular Properties

Compound NameCID 14592987
PubChem CID14592987
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name—
SMILESO=C1CC2(C=CC3(C=C2)OCCO3)c2ccccc21
InChIInChI=1S/C16H14O3/c17-14-11-15(13-4-2-1-3-12(13)14)5-7-16(8-6-15)18-9-10-19-16/h1-8H,9-11H2
InChIKeyNUCQBAIWBXBEOP-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 14592987?
The IUPAC name of CID 14592987 (CID 14592987) is not available.
What is the SMILES notation for CID 14592987?
The canonical SMILES for CID 14592987 is O=C1CC2(C=CC3(C=C2)OCCO3)c2ccccc21.
What is the InChIKey of CID 14592987?
The InChIKey is NUCQBAIWBXBEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-14-11-15(13-4-2-1-3-12(13)14)5-7-16(8-6-15)18-9-10-19-16/h1-8H,9-11H2.
What are the key properties of CID 14592987?
CID 14592987 has a molecular weight of 254.28 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14592987 is sourced from PubChem (CID 14592987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).