3-benzylbenzaldehyde;(3-benzylphenyl)methanol

C28H26O2 — CID 160613010

IUPAC3-benzylbenzaldehyde;(3-benzylphenyl)methanol
SMILESO=Cc1cccc(Cc2ccccc2)c1.OCc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H14O.C14H12O/c2*15-11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2;1-8,10-11H,9H2
InChIKeyRFSLWSNWJBHOKZ-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.86
Rot. Bonds6

About 3-benzylbenzaldehyde;(3-benzylphenyl)methanol

3-benzylbenzaldehyde;(3-benzylphenyl)methanol (PubChem CID 160613010) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 3-benzylbenzaldehyde;(3-benzylphenyl)methanol.

Molecular Properties

Compound Name3-benzylbenzaldehyde;(3-benzylphenyl)methanol
PubChem CID160613010
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name3-benzylbenzaldehyde;(3-benzylphenyl)methanol
SMILESO=Cc1cccc(Cc2ccccc2)c1.OCc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H14O.C14H12O/c2*15-11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2;1-8,10-11H,9H2
InChIKeyRFSLWSNWJBHOKZ-UHFFFAOYSA-N
XLogP5.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;phenylmethanol
CID 87934574
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
3-[2-(3,5-dipropylphenyl)ethyl]benzaldehyde;[3-[2-(3,5-dipropylphenyl)ethyl]phenyl]methanol
CID 157231949
3,5-bis(hydroxymethyl)benzaldehyde
CID 87583530
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
3-(2-oxoethyl)benzaldehyde
CID 54321672
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-(3-benzylphenyl)propanal
CID 10466202
3-(methylaminomethyl)benzaldehyde
CID 20724862
[2-[[2-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methanol
CID 10317524
3-(anilinomethyl)benzaldehyde
CID 87371298
2-(3-benzylphenyl)acetic acid
CID 22590987

Frequently Asked Questions

What is the IUPAC name of 3-benzylbenzaldehyde;(3-benzylphenyl)methanol?
The IUPAC name of 3-benzylbenzaldehyde;(3-benzylphenyl)methanol (CID 160613010) is 3-benzylbenzaldehyde;(3-benzylphenyl)methanol.
What is the SMILES notation for 3-benzylbenzaldehyde;(3-benzylphenyl)methanol?
The canonical SMILES for 3-benzylbenzaldehyde;(3-benzylphenyl)methanol is O=Cc1cccc(Cc2ccccc2)c1.OCc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 3-benzylbenzaldehyde;(3-benzylphenyl)methanol?
The InChIKey is RFSLWSNWJBHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C14H12O/c2*15-11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2;1-8,10-11H,9H2.
What are the key properties of 3-benzylbenzaldehyde;(3-benzylphenyl)methanol?
3-benzylbenzaldehyde;(3-benzylphenyl)methanol has a molecular weight of 394.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylbenzaldehyde;(3-benzylphenyl)methanol is sourced from PubChem (CID 160613010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).