(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone

C22H22O3 — CID 143289914

IUPAC(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2ccc(C3C=CC=CC3)cc2)c(O)c1
InChIInChI=1S/C22H22O3/c1-15(2)25-19-12-13-20(21(23)14-19)22(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-6,8-16,23H,7H2,1-2H3
InChIKeyVSBOEVQGQUXHQU-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.01
Rot. Bonds5

About (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone

(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 143289914) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone
PubChem CID143289914
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2ccc(C3C=CC=CC3)cc2)c(O)c1
InChIInChI=1S/C22H22O3/c1-15(2)25-19-12-13-20(21(23)14-19)22(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-6,8-16,23H,7H2,1-2H3
InChIKeyVSBOEVQGQUXHQU-UHFFFAOYSA-N
XLogP5.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone (CID 143289914) is (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2ccc(C3C=CC=CC3)cc2)c(O)c1.
What is the InChIKey of (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone?
The InChIKey is VSBOEVQGQUXHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-15(2)25-19-12-13-20(21(23)14-19)22(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-6,8-16,23H,7H2,1-2H3.
What are the key properties of (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone?
(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 143289914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).