4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde

C16H14O2 — CID 99785951

IUPAC4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde
SMILESO=Cc1ccc(O[C@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c17-11-12-6-8-14(9-7-12)18-16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2/t15-,16+/m1/s1
InChIKeyVXDMJAYTTSOTNK-CVEARBPZSA-N
MW238.29 g/mol
LogP3.43
Rot. Bonds4

About 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde

4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde (PubChem CID 99785951) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde
PubChem CID99785951
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde
SMILESO=Cc1ccc(O[C@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c17-11-12-6-8-14(9-7-12)18-16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2/t15-,16+/m1/s1
InChIKeyVXDMJAYTTSOTNK-CVEARBPZSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
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 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde?
The IUPAC name of 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde (CID 99785951) is 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde.
What is the SMILES notation for 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde?
The canonical SMILES for 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde is O=Cc1ccc(O[C@H]2C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde?
The InChIKey is VXDMJAYTTSOTNK-CVEARBPZSA-N. The full InChI is InChI=1S/C16H14O2/c17-11-12-6-8-14(9-7-12)18-16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2/t15-,16+/m1/s1.
What are the key properties of 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde?
4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde has a molecular weight of 238.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-phenylcyclopropyl]oxybenzaldehyde is sourced from PubChem (CID 99785951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).