CID 58544227

C9H11O2 — CID 58544227

IUPAC—
SMILES[CH2]OCCOc1ccccc1
InChIInChI=1S/C9H11O2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,1,7-8H2
InChIKeyFFNYLPZTZPGNFZ-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.87
Rot. Bonds4

About CID 58544227

CID 58544227 (PubChem CID 58544227) has the molecular formula C9H11O2 and a molecular weight of 151.18 g/mol.

Molecular Properties

Compound NameCID 58544227
PubChem CID58544227
Molecular FormulaC9H11O2
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name—
SMILES[CH2]OCCOc1ccccc1
InChIInChI=1S/C9H11O2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,1,7-8H2
InChIKeyFFNYLPZTZPGNFZ-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-(4-phenoxybutoxy)butoxybenzene
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diethyl(2-phenoxyethoxy)silane
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N-(2-phenoxyethoxy)methanamine
CID 117126931
3-phenoxypropane-1-thiol
CID 18792707
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
1-oxido-4-(2-phenoxyethoxy)pyridin-1-ium
CID 122456025
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-(2-phenoxyethoxy)ethanol
CID 7715

Frequently Asked Questions

What is the IUPAC name of CID 58544227?
The IUPAC name of CID 58544227 (CID 58544227) is not available.
What is the SMILES notation for CID 58544227?
The canonical SMILES for CID 58544227 is [CH2]OCCOc1ccccc1.
What is the InChIKey of CID 58544227?
The InChIKey is FFNYLPZTZPGNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,1,7-8H2.
What are the key properties of CID 58544227?
CID 58544227 has a molecular weight of 151.18 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544227 is sourced from PubChem (CID 58544227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).