4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde

C18H20FNO4 — CID 161410830

IUPAC4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1F.COc1cc(C=O)ccc1N(C)C
InChIInChI=1S/C10H13NO2.C8H7FO2/c1-11(2)9-5-4-8(7-12)6-10(9)13-3;1-11-8-4-6(5-10)2-3-7(8)9/h4-7H,1-3H3;2-5H,1H3
InChIKeyVVLDWWKVMPGAGD-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.22
Rot. Bonds5

About 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde

4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde (PubChem CID 161410830) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
PubChem CID161410830
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1F.COc1cc(C=O)ccc1N(C)C
InChIInChI=1S/C10H13NO2.C8H7FO2/c1-11(2)9-5-4-8(7-12)6-10(9)13-3;1-11-8-4-6(5-10)2-3-7(8)9/h4-7H,1-3H3;2-5H,1H3
InChIKeyVVLDWWKVMPGAGD-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde?
The IUPAC name of 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde (CID 161410830) is 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde is COc1cc(C=O)ccc1F.COc1cc(C=O)ccc1N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde?
The InChIKey is VVLDWWKVMPGAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C8H7FO2/c1-11(2)9-5-4-8(7-12)6-10(9)13-3;1-11-8-4-6(5-10)2-3-7(8)9/h4-7H,1-3H3;2-5H,1H3.
What are the key properties of 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde?
4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde has a molecular weight of 333.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde is sourced from PubChem (CID 161410830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).