[4-(4-phenoxyphenyl)cyclohexylidene]methanone

C19H18O2 — CID 175841652

IUPAC[4-(4-phenoxyphenyl)cyclohexylidene]methanone
SMILESO=C=C1CCC(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H18O2/c20-14-15-6-8-16(9-7-15)17-10-12-19(13-11-17)21-18-4-2-1-3-5-18/h1-5,10-13,16H,6-9H2
InChIKeyRFEPFGFENUDBJZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.89
Rot. Bonds3

About [4-(4-phenoxyphenyl)cyclohexylidene]methanone

[4-(4-phenoxyphenyl)cyclohexylidene]methanone (PubChem CID 175841652) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(4-phenoxyphenyl)cyclohexylidene]methanone.

Molecular Properties

Compound Name[4-(4-phenoxyphenyl)cyclohexylidene]methanone
PubChem CID175841652
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name[4-(4-phenoxyphenyl)cyclohexylidene]methanone
SMILESO=C=C1CCC(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H18O2/c20-14-15-6-8-16(9-7-15)17-10-12-19(13-11-17)21-18-4-2-1-3-5-18/h1-5,10-13,16H,6-9H2
InChIKeyRFEPFGFENUDBJZ-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxyphenyl)cyclohexylidene]methanone?
The IUPAC name of [4-(4-phenoxyphenyl)cyclohexylidene]methanone (CID 175841652) is [4-(4-phenoxyphenyl)cyclohexylidene]methanone.
What is the SMILES notation for [4-(4-phenoxyphenyl)cyclohexylidene]methanone?
The canonical SMILES for [4-(4-phenoxyphenyl)cyclohexylidene]methanone is O=C=C1CCC(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of [4-(4-phenoxyphenyl)cyclohexylidene]methanone?
The InChIKey is RFEPFGFENUDBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-14-15-6-8-16(9-7-15)17-10-12-19(13-11-17)21-18-4-2-1-3-5-18/h1-5,10-13,16H,6-9H2.
What are the key properties of [4-(4-phenoxyphenyl)cyclohexylidene]methanone?
[4-(4-phenoxyphenyl)cyclohexylidene]methanone has a molecular weight of 278.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxyphenyl)cyclohexylidene]methanone is sourced from PubChem (CID 175841652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).