CID 174063773

C17H27BO2 — CID 174063773

IUPAC—
SMILES[B]CCOCCOc1ccc(CCC(C)CCC)cc1
InChIInChI=1S/C17H27BO2/c1-3-4-15(2)5-6-16-7-9-17(10-8-16)20-14-13-19-12-11-18/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyYUSYNOICPHASFZ-UHFFFAOYSA-N
MW274.21 g/mol
LogP4.04
Rot. Bonds11

About CID 174063773

CID 174063773 (PubChem CID 174063773) has the molecular formula C17H27BO2 and a molecular weight of 274.21 g/mol.

Molecular Properties

Compound NameCID 174063773
PubChem CID174063773
Molecular FormulaC17H27BO2
Molecular Weight274.21 g/mol
Exact Mass274.21
IUPAC Name—
SMILES[B]CCOCCOc1ccc(CCC(C)CCC)cc1
InChIInChI=1S/C17H27BO2/c1-3-4-15(2)5-6-16-7-9-17(10-8-16)20-14-13-19-12-11-18/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyYUSYNOICPHASFZ-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 54.04
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 153379110
CID 153379110
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
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1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
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1-butyl-4-(2-propoxyethoxy)benzene
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1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 174063773?
The IUPAC name of CID 174063773 (CID 174063773) is not available.
What is the SMILES notation for CID 174063773?
The canonical SMILES for CID 174063773 is [B]CCOCCOc1ccc(CCC(C)CCC)cc1.
What is the InChIKey of CID 174063773?
The InChIKey is YUSYNOICPHASFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BO2/c1-3-4-15(2)5-6-16-7-9-17(10-8-16)20-14-13-19-12-11-18/h7-10,15H,3-6,11-14H2,1-2H3.
What are the key properties of CID 174063773?
CID 174063773 has a molecular weight of 274.21 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174063773 is sourced from PubChem (CID 174063773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).