CID 102002675

C9H9O3 — CID 102002675

IUPAC—
SMILESCOc1cccc(OC)c1[C]=O
InChIInChI=1S/C9H9O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3
InChIKeySJQJMTRYCRCBDH-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.16
Rot. Bonds3

About CID 102002675

CID 102002675 (PubChem CID 102002675) has the molecular formula C9H9O3 and a molecular weight of 165.17 g/mol.

Molecular Properties

Compound NameCID 102002675
PubChem CID102002675
Molecular FormulaC9H9O3
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name—
SMILESCOc1cccc(OC)c1[C]=O
InChIInChI=1S/C9H9O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3
InChIKeySJQJMTRYCRCBDH-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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bismuth tris(2,6-dimethoxybenzenethiolate)
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Frequently Asked Questions

What is the IUPAC name of CID 102002675?
The IUPAC name of CID 102002675 (CID 102002675) is not available.
What is the SMILES notation for CID 102002675?
The canonical SMILES for CID 102002675 is COc1cccc(OC)c1[C]=O.
What is the InChIKey of CID 102002675?
The InChIKey is SJQJMTRYCRCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3.
What are the key properties of CID 102002675?
CID 102002675 has a molecular weight of 165.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102002675 is sourced from PubChem (CID 102002675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).