5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one

C19H22O2 — CID 131710360

IUPAC5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one
SMILESCc1cc(C)c(C(=O)CCCC(O)=C2C=CC=C2)c(C)c1
InChIInChI=1S/C19H22O2/c1-13-11-14(2)19(15(3)12-13)18(21)10-6-9-17(20)16-7-4-5-8-16/h4-5,7-8,11-12,20H,6,9-10H2,1-3H3
InChIKeyUGSFXHKZRGQCJU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.90
Rot. Bonds5

About 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one

5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one (PubChem CID 131710360) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one.

Molecular Properties

Compound Name5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one
PubChem CID131710360
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one
SMILESCc1cc(C)c(C(=O)CCCC(O)=C2C=CC=C2)c(C)c1
InChIInChI=1S/C19H22O2/c1-13-11-14(2)19(15(3)12-13)18(21)10-6-9-17(20)16-7-4-5-8-16/h4-5,7-8,11-12,20H,6,9-10H2,1-3H3
InChIKeyUGSFXHKZRGQCJU-UHFFFAOYSA-N
XLogP4.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid
CID 119346315
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
7-oxo-2-propan-2-yl-7-(2,4,6-trimethylphenyl)heptanoic acid
CID 161040773
6-methyl-1-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 122113933
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
2-methyl-2-[5-oxo-5-(2,4,6-trimethylphenyl)pentyl]dodecanoic acid
CID 159864700
1-cyclopenta-2,4-dien-1-ylidenedecan-1-ol
CID 158894608
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177

Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one?
The IUPAC name of 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one (CID 131710360) is 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one.
What is the SMILES notation for 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one?
The canonical SMILES for 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one is Cc1cc(C)c(C(=O)CCCC(O)=C2C=CC=C2)c(C)c1.
What is the InChIKey of 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one?
The InChIKey is UGSFXHKZRGQCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-11-14(2)19(15(3)12-13)18(21)10-6-9-17(20)16-7-4-5-8-16/h4-5,7-8,11-12,20H,6,9-10H2,1-3H3.
What are the key properties of 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one?
5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one is sourced from PubChem (CID 131710360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).