3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one

C19H18O2 — CID 2878770

IUPAC3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one
SMILESCOc1ccc(C2=CC(=O)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H18O2/c1-21-19-9-7-15(8-10-19)17-11-16(12-18(20)13-17)14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3
InChIKeyMMVJJVYMEZCERX-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.23
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one

3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one (PubChem CID 2878770) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one
PubChem CID2878770
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one
SMILESCOc1ccc(C2=CC(=O)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H18O2/c1-21-19-9-7-15(8-10-19)17-11-16(12-18(20)13-17)14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3
InChIKeyMMVJJVYMEZCERX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one (CID 2878770) is 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one is COc1ccc(C2=CC(=O)CC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one?
The InChIKey is MMVJJVYMEZCERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-21-19-9-7-15(8-10-19)17-11-16(12-18(20)13-17)14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one?
3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one has a molecular weight of 278.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 2878770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).