3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde

C16H15ClO3 — CID 65126517

IUPAC3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1COCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-19-16-6-5-12(9-18)7-14(16)11-20-10-13-3-2-4-15(17)8-13/h2-9H,10-11H2,1H3
InChIKeyDZSWJOVFVRIACE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.88
Rot. Bonds6

About 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde

3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde (PubChem CID 65126517) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde
PubChem CID65126517
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1COCc1cccc(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-19-16-6-5-12(9-18)7-14(16)11-20-10-13-3-2-4-15(17)8-13/h2-9H,10-11H2,1H3
InChIKeyDZSWJOVFVRIACE-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
4-methoxy-3-[2-(2-methylpropoxy)ethoxymethyl]benzaldehyde
CID 106448329
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
4-(3-chlorophenoxy)-3-methoxybenzaldehyde
CID 141471481
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
(3-chlorophenyl)methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7668773
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde (CID 65126517) is 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1COCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde?
The InChIKey is DZSWJOVFVRIACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-16-6-5-12(9-18)7-14(16)11-20-10-13-3-2-4-15(17)8-13/h2-9H,10-11H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde?
3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 65126517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).