3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol

C26H22O4 — CID 138731649

IUPAC3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
SMILESO=Cc1cccc(Oc2ccccc2)c1.OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12O2.C13H10O2/c2*14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2;1-10H
InChIKeyMRNFSAIKTFDPAK-UHFFFAOYSA-N
MW398.46 g/mol
LogP6.26
Rot. Bonds6

About 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol

3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol (PubChem CID 138731649) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol.

Molecular Properties

Compound Name3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
PubChem CID138731649
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
SMILESO=Cc1cccc(Oc2ccccc2)c1.OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12O2.C13H10O2/c2*14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2;1-10H
InChIKeyMRNFSAIKTFDPAK-UHFFFAOYSA-N
XLogP6.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylbenzaldehyde;(3-benzylphenyl)methanol
CID 160613010
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
benzaldehyde;phenylmethanol
CID 87934574
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
3-ethyl-5-phenoxybenzaldehyde
CID 141489736
3-(4-bromophenoxy)benzaldehyde
CID 12874363
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
2-(3-formylphenoxy)benzoic acid
CID 87842152
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242

Frequently Asked Questions

What is the IUPAC name of 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol?
The IUPAC name of 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol (CID 138731649) is 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol.
What is the SMILES notation for 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol?
The canonical SMILES for 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol is O=Cc1cccc(Oc2ccccc2)c1.OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol?
The InChIKey is MRNFSAIKTFDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C13H10O2/c2*14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2;1-10H.
What are the key properties of 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol?
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol has a molecular weight of 398.46 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol is sourced from PubChem (CID 138731649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).