benzaldehyde;phenylmethanol

C14H14O2 — CID 87934574

IUPACbenzaldehyde;phenylmethanol
SMILESO=Cc1ccccc1.OCc1ccccc1
InChIInChI=1S/C7H8O.C7H6O/c2*8-6-7-4-2-1-3-5-7/h1-5,8H,6H2;1-6H
InChIKeyCJVXBVQPYNFPQG-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.68
Rot. Bonds2

About benzaldehyde;phenylmethanol

benzaldehyde;phenylmethanol (PubChem CID 87934574) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is benzaldehyde;phenylmethanol.

Molecular Properties

Compound Namebenzaldehyde;phenylmethanol
PubChem CID87934574
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Namebenzaldehyde;phenylmethanol
SMILESO=Cc1ccccc1.OCc1ccccc1
InChIInChI=1S/C7H8O.C7H6O/c2*8-6-7-4-2-1-3-5-7/h1-5,8H,6H2;1-6H
InChIKeyCJVXBVQPYNFPQG-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;phenylmethanol?
The IUPAC name of benzaldehyde;phenylmethanol (CID 87934574) is benzaldehyde;phenylmethanol.
What is the SMILES notation for benzaldehyde;phenylmethanol?
The canonical SMILES for benzaldehyde;phenylmethanol is O=Cc1ccccc1.OCc1ccccc1.
What is the InChIKey of benzaldehyde;phenylmethanol?
The InChIKey is CJVXBVQPYNFPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H6O/c2*8-6-7-4-2-1-3-5-7/h1-5,8H,6H2;1-6H.
What are the key properties of benzaldehyde;phenylmethanol?
benzaldehyde;phenylmethanol has a molecular weight of 214.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;phenylmethanol is sourced from PubChem (CID 87934574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).