1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one

C17H20O2 — CID 159137719

IUPAC1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1cc(CCC(=O)C2=CC=CC2)ccc1O
InChIInChI=1S/C17H20O2/c1-12(2)15-11-13(8-10-17(15)19)7-9-16(18)14-5-3-4-6-14/h3-5,8,10-12,19H,6-7,9H2,1-2H3
InChIKeyPWXQRKVFZJMUQR-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.90
Rot. Bonds5

About 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one

1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one (PubChem CID 159137719) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one
PubChem CID159137719
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1cc(CCC(=O)C2=CC=CC2)ccc1O
InChIInChI=1S/C17H20O2/c1-12(2)15-11-13(8-10-17(15)19)7-9-16(18)14-5-3-4-6-14/h3-5,8,10-12,19H,6-7,9H2,1-2H3
InChIKeyPWXQRKVFZJMUQR-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one (CID 159137719) is 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one is CC(C)c1cc(CCC(=O)C2=CC=CC2)ccc1O.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one?
The InChIKey is PWXQRKVFZJMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(2)15-11-13(8-10-17(15)19)7-9-16(18)14-5-3-4-6-14/h3-5,8,10-12,19H,6-7,9H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one?
1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one has a molecular weight of 256.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 159137719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).