butoxybenzene

C10H14O — CID 14311

IUPACbutoxybenzene
SMILESCCCCOc1ccccc1
InChIInChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyYFNONBGXNFCTMM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.87
Rot. Bonds4

About butoxybenzene

butoxybenzene (PubChem CID 14311) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is butoxybenzene.

Molecular Properties

Compound Namebutoxybenzene
PubChem CID14311
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namebutoxybenzene
SMILESCCCCOc1ccccc1
InChIInChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyYFNONBGXNFCTMM-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxybenzene?
The IUPAC name of butoxybenzene (CID 14311) is butoxybenzene.
What is the SMILES notation for butoxybenzene?
The canonical SMILES for butoxybenzene is CCCCOc1ccccc1.
What is the InChIKey of butoxybenzene?
The InChIKey is YFNONBGXNFCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of butoxybenzene?
butoxybenzene has a molecular weight of 150.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxybenzene is sourced from PubChem (CID 14311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).