2,4-difluoro-3-phenylmethoxybenzaldehyde

C14H10F2O2 — CID 74891943

IUPAC2,4-difluoro-3-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(F)c(OCc2ccccc2)c1F
InChIInChI=1S/C14H10F2O2/c15-12-7-6-11(8-17)13(16)14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyRHMFOSHVCFYHIP-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.36
Rot. Bonds4

About 2,4-difluoro-3-phenylmethoxybenzaldehyde

2,4-difluoro-3-phenylmethoxybenzaldehyde (PubChem CID 74891943) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,4-difluoro-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-3-phenylmethoxybenzaldehyde
PubChem CID74891943
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2,4-difluoro-3-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(F)c(OCc2ccccc2)c1F
InChIInChI=1S/C14H10F2O2/c15-12-7-6-11(8-17)13(16)14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyRHMFOSHVCFYHIP-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.36
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

2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 170431907
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
butyl 3-(2,4-difluoro-3-phenylmethoxyphenyl)-2-methylprop-2-enoate
CID 123803423
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
2,4-dibromo-3-phenylmethoxybenzaldehyde;ethane
CID 177011073
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-phenylmethoxybenzaldehyde?
The IUPAC name of 2,4-difluoro-3-phenylmethoxybenzaldehyde (CID 74891943) is 2,4-difluoro-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2,4-difluoro-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 2,4-difluoro-3-phenylmethoxybenzaldehyde is O=Cc1ccc(F)c(OCc2ccccc2)c1F.
What is the InChIKey of 2,4-difluoro-3-phenylmethoxybenzaldehyde?
The InChIKey is RHMFOSHVCFYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-7-6-11(8-17)13(16)14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2,4-difluoro-3-phenylmethoxybenzaldehyde?
2,4-difluoro-3-phenylmethoxybenzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 74891943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).