4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde

C16H15FO2 — CID 172876954

IUPAC4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
SMILESCOc1ccc(F)c(-c2cc(C)c(C=O)c(C)c2)c1
InChIInChI=1S/C16H15FO2/c1-10-6-12(7-11(2)15(10)9-18)14-8-13(19-3)4-5-16(14)17/h4-9H,1-3H3
InChIKeyWODJOUHYYWAPKA-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.93
Rot. Bonds3

About 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde

4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde (PubChem CID 172876954) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
PubChem CID172876954
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
SMILESCOc1ccc(F)c(-c2cc(C)c(C=O)c(C)c2)c1
InChIInChI=1S/C16H15FO2/c1-10-6-12(7-11(2)15(10)9-18)14-8-13(19-3)4-5-16(14)17/h4-9H,1-3H3
InChIKeyWODJOUHYYWAPKA-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.93
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

5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145014279
2,4-difluoro-6-(4-methoxyphenyl)benzaldehyde
CID 135055450
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
4-fluoro-6-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-indene
CID 135189413
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
2,6-difluoro-4-(2-fluoro-4-methoxyphenyl)phenol;2,6-difluoro-4-(2-fluoro-4-methylphenyl)benzaldehyde;ethane
CID 144909638

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde (CID 172876954) is 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde is COc1ccc(F)c(-c2cc(C)c(C=O)c(C)c2)c1.
What is the InChIKey of 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde?
The InChIKey is WODJOUHYYWAPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-6-12(7-11(2)15(10)9-18)14-8-13(19-3)4-5-16(14)17/h4-9H,1-3H3.
What are the key properties of 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde?
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde has a molecular weight of 258.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 172876954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).