CID 154709124

C14H19BO2 — CID 154709124

IUPAC—
SMILES[B][C@H](CCCC1CO1)Cc1ccc(OC)cc1
InChIInChI=1S/C14H19BO2/c1-16-13-7-5-11(6-8-13)9-12(15)3-2-4-14-10-17-14/h5-8,12,14H,2-4,9-10H2,1H3/t12-,14?/m1/s1
InChIKeyBRNRFIGLQZHPNQ-PUODRLBUSA-N
MW230.12 g/mol
LogP2.76
Rot. Bonds7

About CID 154709124

CID 154709124 (PubChem CID 154709124) has the molecular formula C14H19BO2 and a molecular weight of 230.12 g/mol.

Molecular Properties

Compound NameCID 154709124
PubChem CID154709124
Molecular FormulaC14H19BO2
Molecular Weight230.12 g/mol
Exact Mass230.15
IUPAC Name—
SMILES[B][C@H](CCCC1CO1)Cc1ccc(OC)cc1
InChIInChI=1S/C14H19BO2/c1-16-13-7-5-11(6-8-13)9-12(15)3-2-4-14-10-17-14/h5-8,12,14H,2-4,9-10H2,1H3/t12-,14?/m1/s1
InChIKeyBRNRFIGLQZHPNQ-PUODRLBUSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
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2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
(2S)-2-[4-[(4-methoxyphenyl)methoxy]but-2-ynyl]oxirane
CID 11172314
2-[2-(4-propan-2-yloxyphenyl)ethyl]oxirane
CID 83932845
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane
CID 162420097
2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
CID 66058016
2-[(4-methoxyphenyl)methyl]propane-1,3-diol
CID 11008852
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 107386400
2-[2-(4-pentoxyphenyl)ethyl]oxirane
CID 83932604
2-[(4-methoxyphenyl)methyl]hexanenitrile
CID 132506369

Frequently Asked Questions

What is the IUPAC name of CID 154709124?
The IUPAC name of CID 154709124 (CID 154709124) is not available.
What is the SMILES notation for CID 154709124?
The canonical SMILES for CID 154709124 is [B][C@H](CCCC1CO1)Cc1ccc(OC)cc1.
What is the InChIKey of CID 154709124?
The InChIKey is BRNRFIGLQZHPNQ-PUODRLBUSA-N. The full InChI is InChI=1S/C14H19BO2/c1-16-13-7-5-11(6-8-13)9-12(15)3-2-4-14-10-17-14/h5-8,12,14H,2-4,9-10H2,1H3/t12-,14?/m1/s1.
What are the key properties of CID 154709124?
CID 154709124 has a molecular weight of 230.12 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154709124 is sourced from PubChem (CID 154709124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).