2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal

C34H54O7 — CID 158022987

IUPAC2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
SMILESCC(C=O)c1ccccc1.CCCCOCCOCCO.CCCCOCCOCCOC=C(C)c1ccccc1
InChIInChI=1S/C17H26O3.C9H10O.C8H18O3/c1-3-4-10-18-11-12-19-13-14-20-15-16(2)17-8-6-5-7-9-17;1-8(7-10)9-5-3-2-4-6-9;1-2-3-5-10-7-8-11-6-4-9/h5-9,15H,3-4,10-14H2,1-2H3;2-8H,1H3;9H,2-8H2,1H3
InChIKeyFGGUPTRZFSBNAL-UHFFFAOYSA-N
MW574.80 g/mol
LogP6.70
Rot. Bonds21

About 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal

2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal (PubChem CID 158022987) has the molecular formula C34H54O7 and a molecular weight of 574.80 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
PubChem CID158022987
Molecular FormulaC34H54O7
Molecular Weight574.80 g/mol
Exact Mass574.39
IUPAC Name2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
SMILESCC(C=O)c1ccccc1.CCCCOCCOCCO.CCCCOCCOCCOC=C(C)c1ccccc1
InChIInChI=1S/C17H26O3.C9H10O.C8H18O3/c1-3-4-10-18-11-12-19-13-14-20-15-16(2)17-8-6-5-7-9-17;1-8(7-10)9-5-3-2-4-6-9;1-2-3-5-10-7-8-11-6-4-9/h5-9,15H,3-4,10-14H2,1-2H3;2-8H,1H3;9H,2-8H2,1H3
InChIKeyFGGUPTRZFSBNAL-UHFFFAOYSA-N
XLogP6.70
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.80
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 163241352
1,3-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 160906982
butan-2-ol;2-butoxyethanol
CID 118377400
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
CID 163402503
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
(2-butoxy-1-phenylethenyl)benzene
CID 57081718
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal?
The IUPAC name of 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal (CID 158022987) is 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal.
What is the SMILES notation for 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal?
The canonical SMILES for 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal is CC(C=O)c1ccccc1.CCCCOCCOCCO.CCCCOCCOCCOC=C(C)c1ccccc1.
What is the InChIKey of 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal?
The InChIKey is FGGUPTRZFSBNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3.C9H10O.C8H18O3/c1-3-4-10-18-11-12-19-13-14-20-15-16(2)17-8-6-5-7-9-17;1-8(7-10)9-5-3-2-4-6-9;1-2-3-5-10-7-8-11-6-4-9/h5-9,15H,3-4,10-14H2,1-2H3;2-8H,1H3;9H,2-8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal?
2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal has a molecular weight of 574.80 g/mol, XLogP of 6.70, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal is sourced from PubChem (CID 158022987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).