2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

C15H18O3 — CID 101232691

IUPAC2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(O)C(=O)C(C2C=CC=C2)=C1OC(C)C
InChIInChI=1S/C15H18O3/c1-9(2)15(17)13(16)12(11-7-5-6-8-11)14(15)18-10(3)4/h5-8,10-11,17H,1H2,2-4H3
InChIKeyIMUUTNDLPYOUCQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.30
Rot. Bonds4

About 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (PubChem CID 101232691) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
PubChem CID101232691
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1(O)C(=O)C(C2C=CC=C2)=C1OC(C)C
InChIInChI=1S/C15H18O3/c1-9(2)15(17)13(16)12(11-7-5-6-8-11)14(15)18-10(3)4/h5-8,10-11,17H,1H2,2-4H3
InChIKeyIMUUTNDLPYOUCQ-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopenta-2,4-dien-1-yl-4-hydroxy-2-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 101232696
2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
CID 101232704
2-cyclopenta-2,4-dien-1-yl-5-phenyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
CID 101232707
4-hydroxy-2,3-di(propan-2-yloxy)-4-(trifluoromethyl)cyclobut-2-en-1-one
CID 132515194
(3aS,4R,5R,6R,6aS)-3a-hydroxy-4,5,6,6a-tetramethyl-2,3-di(propan-2-yloxy)-5,6-dihydro-4H-pentalen-1-one
CID 102068365
4-hydroxy-4-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 132937787
(3aR,4S,6aR)-3a-hydroxy-4,6a-dimethyl-2,3-di(propan-2-yloxy)-5,6-dihydro-4H-pentalen-1-one
CID 14942206
(1R,5R,8S)-5-hydroxy-7-methyl-3,4-di(propan-2-yloxy)tricyclo[6.3.0.01,5]undeca-3,6-dien-2-one
CID 11833730
(3aS,6aR)-4,6a-dimethyl-2,3-di(propan-2-yloxy)-3a,4,5,6-tetrahydropentalen-1-one
CID 10611821
(4S)-4-hydroxy-4-[(1S,2S)-2-(methylamino)cyclohexyl]-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10733827
3-bromo-1,5-dimethyl-4-propan-2-yloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 58609531
6-[(Z)-but-2-en-2-yl]-6-hydroxy-4-methoxy-5-methylidene-2,3-di(propan-2-yloxy)cyclohex-3-en-1-one
CID 102068488

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (CID 101232691) is 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is C=C(C)C1(O)C(=O)C(C2C=CC=C2)=C1OC(C)C.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The InChIKey is IMUUTNDLPYOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-9(2)15(17)13(16)12(11-7-5-6-8-11)14(15)18-10(3)4/h5-8,10-11,17H,1H2,2-4H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is sourced from PubChem (CID 101232691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).