(Z)-2-phenylmethoxybut-2-enal

C11H12O2 — CID 155092165

IUPAC(Z)-2-phenylmethoxybut-2-enal
SMILESC/C=C(/C=O)OCc1ccccc1
InChIInChI=1S/C11H12O2/c1-2-11(8-12)13-9-10-6-4-3-5-7-10/h2-8H,9H2,1H3/b11-2-
InChIKeyMKYMKSKKXUJGGA-FUQNDXKWSA-N
MW176.21 g/mol
LogP2.31
Rot. Bonds4

About (Z)-2-phenylmethoxybut-2-enal

(Z)-2-phenylmethoxybut-2-enal (PubChem CID 155092165) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-2-phenylmethoxybut-2-enal.

Molecular Properties

Compound Name(Z)-2-phenylmethoxybut-2-enal
PubChem CID155092165
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(Z)-2-phenylmethoxybut-2-enal
SMILESC/C=C(/C=O)OCc1ccccc1
InChIInChI=1S/C11H12O2/c1-2-11(8-12)13-9-10-6-4-3-5-7-10/h2-8H,9H2,1H3/b11-2-
InChIKeyMKYMKSKKXUJGGA-FUQNDXKWSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.31
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

ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxymethylbenzene;propanal
CID 142817556
ethane;ethyl (Z)-4-oxo-3-phenylmethoxybut-2-enoate;prop-1-en-2-amine
CID 143914934
(E)-3-phenylmethoxypent-2-enal
CID 10821515
benzyl (E)-but-2-enoate
CID 5356259
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl acetate
CID 8785
benzyl propanoate;hydrochloride
CID 140986165
phenylmethoxycarbonyl 2-methylbut-2-enoate
CID 174154579
benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
CID 58214768
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
phenylmethoxycarbonyl acetate
CID 88811715
[(1E)-1-(2,2-dimethylpropylidene)-4,4-dimethyl-2-phenylmethoxypent-2-enoxy]methylbenzene
CID 160642303

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenylmethoxybut-2-enal?
The IUPAC name of (Z)-2-phenylmethoxybut-2-enal (CID 155092165) is (Z)-2-phenylmethoxybut-2-enal.
What is the SMILES notation for (Z)-2-phenylmethoxybut-2-enal?
The canonical SMILES for (Z)-2-phenylmethoxybut-2-enal is C/C=C(/C=O)OCc1ccccc1.
What is the InChIKey of (Z)-2-phenylmethoxybut-2-enal?
The InChIKey is MKYMKSKKXUJGGA-FUQNDXKWSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-11(8-12)13-9-10-6-4-3-5-7-10/h2-8H,9H2,1H3/b11-2-.
What are the key properties of (Z)-2-phenylmethoxybut-2-enal?
(Z)-2-phenylmethoxybut-2-enal has a molecular weight of 176.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenylmethoxybut-2-enal is sourced from PubChem (CID 155092165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).