butoxybenzene;2-ethoxyacetic acid

C14H22O4 — CID 174498357

IUPACbutoxybenzene;2-ethoxyacetic acid
SMILESCCCCOc1ccccc1.CCOCC(=O)O
InChIInChI=1S/C10H14O.C4H8O3/c1-2-3-9-11-10-7-5-4-6-8-10;1-2-7-3-4(5)6/h4-8H,2-3,9H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeyFHLUVCSHDHMNMP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.97
Rot. Bonds7

About butoxybenzene;2-ethoxyacetic acid

butoxybenzene;2-ethoxyacetic acid (PubChem CID 174498357) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is butoxybenzene;2-ethoxyacetic acid.

Molecular Properties

Compound Namebutoxybenzene;2-ethoxyacetic acid
PubChem CID174498357
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namebutoxybenzene;2-ethoxyacetic acid
SMILESCCCCOc1ccccc1.CCOCC(=O)O
InChIInChI=1S/C10H14O.C4H8O3/c1-2-3-9-11-10-7-5-4-6-8-10;1-2-7-3-4(5)6/h4-8H,2-3,9H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeyFHLUVCSHDHMNMP-UHFFFAOYSA-N
XLogP2.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;butoxybenzene
CID 162338086
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
butoxybenzene;propanal
CID 174367271
2-butoxyethyl acetate;2-phenoxyethyl acetate
CID 159790412
1,4-dibutoxybenzene;phenol
CID 174756360
pentoxybenzene;undecane
CID 174778179
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
butoxybenzene;methyl formate
CID 174933114
2-(4-phenoxybutoxy)acetamide
CID 122703944
azane;pentoxybenzene;sulfuric acid
CID 173020031

Frequently Asked Questions

What is the IUPAC name of butoxybenzene;2-ethoxyacetic acid?
The IUPAC name of butoxybenzene;2-ethoxyacetic acid (CID 174498357) is butoxybenzene;2-ethoxyacetic acid.
What is the SMILES notation for butoxybenzene;2-ethoxyacetic acid?
The canonical SMILES for butoxybenzene;2-ethoxyacetic acid is CCCCOc1ccccc1.CCOCC(=O)O.
What is the InChIKey of butoxybenzene;2-ethoxyacetic acid?
The InChIKey is FHLUVCSHDHMNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C4H8O3/c1-2-3-9-11-10-7-5-4-6-8-10;1-2-7-3-4(5)6/h4-8H,2-3,9H2,1H3;2-3H2,1H3,(H,5,6).
What are the key properties of butoxybenzene;2-ethoxyacetic acid?
butoxybenzene;2-ethoxyacetic acid has a molecular weight of 254.33 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxybenzene;2-ethoxyacetic acid is sourced from PubChem (CID 174498357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).