CID 140659605

C10H11O3 — CID 140659605

IUPAC—
SMILES[CH2]C(=O)c1cccc(OC)c1CO
InChIInChI=1S/C10H11O3/c1-7(12)8-4-3-5-10(13-2)9(8)6-11/h3-5,11H,1,6H2,2H3
InChIKeyHDOLCQAAVHIDBK-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.20
Rot. Bonds3

About CID 140659605

CID 140659605 (PubChem CID 140659605) has the molecular formula C10H11O3 and a molecular weight of 179.19 g/mol.

Molecular Properties

Compound NameCID 140659605
PubChem CID140659605
Molecular FormulaC10H11O3
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name—
SMILES[CH2]C(=O)c1cccc(OC)c1CO
InChIInChI=1S/C10H11O3/c1-7(12)8-4-3-5-10(13-2)9(8)6-11/h3-5,11H,1,6H2,2H3
InChIKeyHDOLCQAAVHIDBK-UHFFFAOYSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3014232
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Frequently Asked Questions

What is the IUPAC name of CID 140659605?
The IUPAC name of CID 140659605 (CID 140659605) is not available.
What is the SMILES notation for CID 140659605?
The canonical SMILES for CID 140659605 is [CH2]C(=O)c1cccc(OC)c1CO.
What is the InChIKey of CID 140659605?
The InChIKey is HDOLCQAAVHIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3/c1-7(12)8-4-3-5-10(13-2)9(8)6-11/h3-5,11H,1,6H2,2H3.
What are the key properties of CID 140659605?
CID 140659605 has a molecular weight of 179.19 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659605 is sourced from PubChem (CID 140659605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).