(E)-3-phenylmethoxypent-2-enal

C12H14O2 — CID 10821515

IUPAC(E)-3-phenylmethoxypent-2-enal
SMILESCC/C(=C\C=O)OCc1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(8-9-13)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b12-8+
InChIKeyFTEPQGOUFSWWMH-XYOKQWHBSA-N
MW190.24 g/mol
LogP2.70
Rot. Bonds5

About (E)-3-phenylmethoxypent-2-enal

(E)-3-phenylmethoxypent-2-enal (PubChem CID 10821515) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-3-phenylmethoxypent-2-enal.

Molecular Properties

Compound Name(E)-3-phenylmethoxypent-2-enal
PubChem CID10821515
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E)-3-phenylmethoxypent-2-enal
SMILESCC/C(=C\C=O)OCc1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(8-9-13)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b12-8+
InChIKeyFTEPQGOUFSWWMH-XYOKQWHBSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-phenylmethoxybut-2-enal
CID 155092165
benzyl propanoate;hydrochloride
CID 140986165
benzyl 3-ethyl-2-formamidopent-2-enoate
CID 71389094
benzyl 3-methylpent-2-enoate
CID 123956810
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl acetate
CID 8785
(E)-3-phenylmethoxy-5-trimethylsilylpent-3-enal
CID 15262996
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl 2-formylpentanoate
CID 173416593
phenylmethoxycarbonyl acetate
CID 88811715
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylmethoxypent-2-enal?
The IUPAC name of (E)-3-phenylmethoxypent-2-enal (CID 10821515) is (E)-3-phenylmethoxypent-2-enal.
What is the SMILES notation for (E)-3-phenylmethoxypent-2-enal?
The canonical SMILES for (E)-3-phenylmethoxypent-2-enal is CC/C(=C\C=O)OCc1ccccc1.
What is the InChIKey of (E)-3-phenylmethoxypent-2-enal?
The InChIKey is FTEPQGOUFSWWMH-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(8-9-13)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b12-8+.
What are the key properties of (E)-3-phenylmethoxypent-2-enal?
(E)-3-phenylmethoxypent-2-enal has a molecular weight of 190.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylmethoxypent-2-enal is sourced from PubChem (CID 10821515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).