3-phenylmethoxy-2-prop-2-enylbenzaldehyde

C17H16O2 — CID 11357203

IUPAC3-phenylmethoxy-2-prop-2-enylbenzaldehyde
SMILESC=CCc1c(C=O)cccc1OCc1ccccc1
InChIInChI=1S/C17H16O2/c1-2-7-16-15(12-18)10-6-11-17(16)19-13-14-8-4-3-5-9-14/h2-6,8-12H,1,7,13H2
InChIKeyLUAKQFVYRYPQKL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.81
Rot. Bonds6

About 3-phenylmethoxy-2-prop-2-enylbenzaldehyde

3-phenylmethoxy-2-prop-2-enylbenzaldehyde (PubChem CID 11357203) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-phenylmethoxy-2-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name3-phenylmethoxy-2-prop-2-enylbenzaldehyde
PubChem CID11357203
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-phenylmethoxy-2-prop-2-enylbenzaldehyde
SMILESC=CCc1c(C=O)cccc1OCc1ccccc1
InChIInChI=1S/C17H16O2/c1-2-7-16-15(12-18)10-6-11-17(16)19-13-14-8-4-3-5-9-14/h2-6,8-12H,1,7,13H2
InChIKeyLUAKQFVYRYPQKL-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile
CID 18522243
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde
CID 87727622
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
5-phenylmethoxy-4-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 11098989
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
The IUPAC name of 3-phenylmethoxy-2-prop-2-enylbenzaldehyde (CID 11357203) is 3-phenylmethoxy-2-prop-2-enylbenzaldehyde.
What is the SMILES notation for 3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
The canonical SMILES for 3-phenylmethoxy-2-prop-2-enylbenzaldehyde is C=CCc1c(C=O)cccc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
The InChIKey is LUAKQFVYRYPQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-7-16-15(12-18)10-6-11-17(16)19-13-14-8-4-3-5-9-14/h2-6,8-12H,1,7,13H2.
What are the key properties of 3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
3-phenylmethoxy-2-prop-2-enylbenzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-2-prop-2-enylbenzaldehyde is sourced from PubChem (CID 11357203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).