CID 101070743

C14H11O3 — CID 101070743

IUPAC—
SMILESO=c1oc2ccccc2c2c1C1CC[CH]C1O2
InChIInChI=1S/C14H11O3/c15-14-12-8-5-3-7-10(8)16-13(12)9-4-1-2-6-11(9)17-14/h1-2,4,6-8,10H,3,5H2
InChIKeyUSGUYMWYEHQVRO-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.64
Rot. Bonds

About CID 101070743

CID 101070743 (PubChem CID 101070743) has the molecular formula C14H11O3 and a molecular weight of 227.24 g/mol.

Molecular Properties

Compound NameCID 101070743
PubChem CID101070743
Molecular FormulaC14H11O3
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name—
SMILESO=c1oc2ccccc2c2c1C1CC[CH]C1O2
InChIInChI=1S/C14H11O3/c15-14-12-8-5-3-7-10(8)16-13(12)9-4-1-2-6-11(9)17-14/h1-2,4,6-8,10H,3,5H2
InChIKeyUSGUYMWYEHQVRO-UHFFFAOYSA-N
XLogP2.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101070743?
The IUPAC name of CID 101070743 (CID 101070743) is not available.
What is the SMILES notation for CID 101070743?
The canonical SMILES for CID 101070743 is O=c1oc2ccccc2c2c1C1CC[CH]C1O2.
What is the InChIKey of CID 101070743?
The InChIKey is USGUYMWYEHQVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O3/c15-14-12-8-5-3-7-10(8)16-13(12)9-4-1-2-6-11(9)17-14/h1-2,4,6-8,10H,3,5H2.
What are the key properties of CID 101070743?
CID 101070743 has a molecular weight of 227.24 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101070743 is sourced from PubChem (CID 101070743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).