CID 153379110

C15H25BO2 — CID 153379110

IUPAC—
SMILESCC.[B]CCOCCOc1ccc(CCC)cc1
InChIInChI=1S/C13H19BO2.C2H6/c1-2-3-12-4-6-13(7-5-12)16-11-10-15-9-8-14;1-2/h4-7H,2-3,8-11H2,1H3;1-2H3
InChIKeyPCGYBMMSCQHORI-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.65
Rot. Bonds8

About CID 153379110

CID 153379110 (PubChem CID 153379110) has the molecular formula C15H25BO2 and a molecular weight of 248.17 g/mol.

Molecular Properties

Compound NameCID 153379110
PubChem CID153379110
Molecular FormulaC15H25BO2
Molecular Weight248.17 g/mol
Exact Mass248.19
IUPAC Name—
SMILESCC.[B]CCOCCOc1ccc(CCC)cc1
InChIInChI=1S/C13H19BO2.C2H6/c1-2-3-12-4-6-13(7-5-12)16-11-10-15-9-8-14;1-2/h4-7H,2-3,8-11H2,1H3;1-2H3
InChIKeyPCGYBMMSCQHORI-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174063773
CID 174063773
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
CID 134183971
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-nonoxy-4-propylbenzene
CID 118632119
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775

Frequently Asked Questions

What is the IUPAC name of CID 153379110?
The IUPAC name of CID 153379110 (CID 153379110) is not available.
What is the SMILES notation for CID 153379110?
The canonical SMILES for CID 153379110 is CC.[B]CCOCCOc1ccc(CCC)cc1.
What is the InChIKey of CID 153379110?
The InChIKey is PCGYBMMSCQHORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO2.C2H6/c1-2-3-12-4-6-13(7-5-12)16-11-10-15-9-8-14;1-2/h4-7H,2-3,8-11H2,1H3;1-2H3.
What are the key properties of CID 153379110?
CID 153379110 has a molecular weight of 248.17 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153379110 is sourced from PubChem (CID 153379110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).