CID 174824648

C9H14BO3 — CID 174824648

IUPAC—
SMILESCC(C)c1ccc(O)cc1.O[B]O
InChIInChI=1S/C9H12O.BH2O2/c1-7(2)8-3-5-9(10)6-4-8;2-1-3/h3-7,10H,1-2H3;2-3H
InChIKeyHRZUJVBIKHBNSK-UHFFFAOYSA-N
MW181.02 g/mol
LogP1.02
Rot. Bonds1

About CID 174824648

CID 174824648 (PubChem CID 174824648) has the molecular formula C9H14BO3 and a molecular weight of 181.02 g/mol.

Molecular Properties

Compound NameCID 174824648
PubChem CID174824648
Molecular FormulaC9H14BO3
Molecular Weight181.02 g/mol
Exact Mass181.10
IUPAC Name—
SMILESCC(C)c1ccc(O)cc1.O[B]O
InChIInChI=1S/C9H12O.BH2O2/c1-7(2)8-3-5-9(10)6-4-8;2-1-3/h3-7,10H,1-2H3;2-3H
InChIKeyHRZUJVBIKHBNSK-UHFFFAOYSA-N
XLogP1.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(4-propan-2-ylanilino)phenol
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4-[1-(4-hydroxyphenyl)ethyl]phenol
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CID 165079137
ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
CID 144897116
4-propan-2-ylphenol;trifluoromethanesulfonate
CID 91607276
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
CID 159053897
CID 159053897
4-[(1R)-1-aminoethyl]phenol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of CID 174824648?
The IUPAC name of CID 174824648 (CID 174824648) is not available.
What is the SMILES notation for CID 174824648?
The canonical SMILES for CID 174824648 is CC(C)c1ccc(O)cc1.O[B]O.
What is the InChIKey of CID 174824648?
The InChIKey is HRZUJVBIKHBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.BH2O2/c1-7(2)8-3-5-9(10)6-4-8;2-1-3/h3-7,10H,1-2H3;2-3H.
What are the key properties of CID 174824648?
CID 174824648 has a molecular weight of 181.02 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174824648 is sourced from PubChem (CID 174824648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).