3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal

C16H14Cl2O2 — CID 14225536

IUPAC3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal
SMILESO=CCCc1c(Cl)cc(Cl)cc1OCc1ccccc1
InChIInChI=1S/C16H14Cl2O2/c17-13-9-15(18)14(7-4-8-19)16(10-13)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2
InChIKeyMVEZVQDNLZUTBR-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.70
Rot. Bonds6

About 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal

3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal (PubChem CID 14225536) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal.

Molecular Properties

Compound Name3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal
PubChem CID14225536
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal
SMILESO=CCCc1c(Cl)cc(Cl)cc1OCc1ccccc1
InChIInChI=1S/C16H14Cl2O2/c17-13-9-15(18)14(7-4-8-19)16(10-13)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2
InChIKeyMVEZVQDNLZUTBR-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene
CID 14225535
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903
3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
2-(3,5-dichlorophenyl)-6-phenylmethoxybenzaldehyde
CID 172993959
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal?
The IUPAC name of 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal (CID 14225536) is 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal.
What is the SMILES notation for 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal?
The canonical SMILES for 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal is O=CCCc1c(Cl)cc(Cl)cc1OCc1ccccc1.
What is the InChIKey of 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal?
The InChIKey is MVEZVQDNLZUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-9-15(18)14(7-4-8-19)16(10-13)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2.
What are the key properties of 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal?
3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal has a molecular weight of 309.19 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-phenylmethoxyphenyl)propanal is sourced from PubChem (CID 14225536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).