CID 100946372

C15H17O2 — CID 100946372

IUPAC—
SMILESO=C(OCc1ccccc1)C12CCC[CH]C1C2
InChIInChI=1S/C15H17O2/c16-14(15-9-5-4-8-13(15)10-15)17-11-12-6-2-1-3-7-12/h1-3,6-8,13H,4-5,9-11H2
InChIKeyYVOSRTVDIIUZKT-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.12
Rot. Bonds3

About CID 100946372

CID 100946372 (PubChem CID 100946372) has the molecular formula C15H17O2 and a molecular weight of 229.30 g/mol.

Molecular Properties

Compound NameCID 100946372
PubChem CID100946372
Molecular FormulaC15H17O2
Molecular Weight229.30 g/mol
Exact Mass229.12
IUPAC Name—
SMILESO=C(OCc1ccccc1)C12CCC[CH]C1C2
InChIInChI=1S/C15H17O2/c16-14(15-9-5-4-8-13(15)10-15)17-11-12-6-2-1-3-7-12/h1-3,6-8,13H,4-5,9-11H2
InChIKeyYVOSRTVDIIUZKT-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 1-(oxiran-2-yl)cyclohexane-1-carboxylate
CID 10706467
benzyl 2-hydroxy-1-methylcyclohexane-1-carboxylate
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1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
benzyl 1-amino-2-ethylcyclopropane-1-carboxylate
CID 73121008
benzyl 1-hydroxy-4-methylcyclohexane-1-carboxylate
CID 175022873
1-O-benzyl 1-O'-(iodomethyl) cyclobutane-1,1-dicarboxylate
CID 102602708
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
benzyl (1R)-1-hydroxy-3-oxocyclohexane-1-carboxylate
CID 10824432
benzyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139967702
benzyl 2-ethoxy-1,3,3-trimethylcyclohexane-1-carboxylate
CID 146647630
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282

Frequently Asked Questions

What is the IUPAC name of CID 100946372?
The IUPAC name of CID 100946372 (CID 100946372) is not available.
What is the SMILES notation for CID 100946372?
The canonical SMILES for CID 100946372 is O=C(OCc1ccccc1)C12CCC[CH]C1C2.
What is the InChIKey of CID 100946372?
The InChIKey is YVOSRTVDIIUZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2/c16-14(15-9-5-4-8-13(15)10-15)17-11-12-6-2-1-3-7-12/h1-3,6-8,13H,4-5,9-11H2.
What are the key properties of CID 100946372?
CID 100946372 has a molecular weight of 229.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100946372 is sourced from PubChem (CID 100946372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).