CID 174846151

C9H10BO — CID 174846151

IUPAC—
SMILESC=CCOc1ccccc1.[B]
InChIInChI=1S/C9H10O.B/c1-2-8-10-9-6-4-3-5-7-9;/h2-7H,1,8H2;
InChIKeyGYBPXDKBJGIRTB-UHFFFAOYSA-N
MW144.99 g/mol
LogP1.87
Rot. Bonds3

About CID 174846151

CID 174846151 (PubChem CID 174846151) has the molecular formula C9H10BO and a molecular weight of 144.99 g/mol.

Molecular Properties

Compound NameCID 174846151
PubChem CID174846151
Molecular FormulaC9H10BO
Molecular Weight144.99 g/mol
Exact Mass145.08
IUPAC Name—
SMILESC=CCOc1ccccc1.[B]
InChIInChI=1S/C9H10O.B/c1-2-8-10-9-6-4-3-5-7-9;/h2-7H,1,8H2;
InChIKeyGYBPXDKBJGIRTB-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.99
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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oxirane;phosphoric acid;prop-2-enoxybenzene
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benzene;4-prop-2-enoxybenzoic acid
CID 174857047
1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
CID 141391310
1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
CID 139217442
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 71407181
(3-prop-2-enoxyphenyl)azanium
CID 59822882

Frequently Asked Questions

What is the IUPAC name of CID 174846151?
The IUPAC name of CID 174846151 (CID 174846151) is not available.
What is the SMILES notation for CID 174846151?
The canonical SMILES for CID 174846151 is C=CCOc1ccccc1.[B].
What is the InChIKey of CID 174846151?
The InChIKey is GYBPXDKBJGIRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.B/c1-2-8-10-9-6-4-3-5-7-9;/h2-7H,1,8H2;.
What are the key properties of CID 174846151?
CID 174846151 has a molecular weight of 144.99 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174846151 is sourced from PubChem (CID 174846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).