5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one

C19H24O3 — CID 66868045

IUPAC5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one
SMILESCOC1=C(c2c(C)cc(C)cc2C)C(=O)C(C(O)C2CC2)C1
InChIInChI=1S/C19H24O3/c1-10-7-11(2)16(12(3)8-10)17-15(22-4)9-14(19(17)21)18(20)13-5-6-13/h7-8,13-14,18,20H,5-6,9H2,1-4H3
InChIKeySSLBIDFXDGYDCH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.33
Rot. Bonds4

About 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one

5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one (PubChem CID 66868045) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one
PubChem CID66868045
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one
SMILESCOC1=C(c2c(C)cc(C)cc2C)C(=O)C(C(O)C2CC2)C1
InChIInChI=1S/C19H24O3/c1-10-7-11(2)16(12(3)8-10)17-15(22-4)9-14(19(17)21)18(20)13-5-6-13/h7-8,13-14,18,20H,5-6,9H2,1-4H3
InChIKeySSLBIDFXDGYDCH-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dimethylphenyl)-5-hydroxyoctan-3-one
CID 156010171
Benwamycin F
CID 155544889
1-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one
CID 101148676
2-(4-Fluoro-2,6-dimethylphenyl)-5-[hydroxy(oxan-4-yl)methyl]-3-methoxycyclopent-2-en-1-one
CID 58481603
5-(2-Ethylidene-5-fluorohex-3-enyl)-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one
CID 123466294
2-[2,6-Dimethyl-4-(trifluoromethyl)phenyl]-3-methoxy-5-[methoxy(oxan-4-yl)methyl]cyclopent-2-en-1-one
CID 164144551
(2-Fluoro-4,6-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 106883236
4,4-Difluoro-3-hydroxy-5-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
CID 177629950
3-Hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 21582368
(3aR,7aS)-3-hydroxy-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydroinden-1-one
CID 10901683
(3aS,7aS)-3-hydroxy-2-(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydroinden-1-one
CID 11032935
3-Hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one
CID 11746878

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one?
The IUPAC name of 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one (CID 66868045) is 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one is COC1=C(c2c(C)cc(C)cc2C)C(=O)C(C(O)C2CC2)C1.
What is the InChIKey of 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one?
The InChIKey is SSLBIDFXDGYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-10-7-11(2)16(12(3)8-10)17-15(22-4)9-14(19(17)21)18(20)13-5-6-13/h7-8,13-14,18,20H,5-6,9H2,1-4H3.
What are the key properties of 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one?
5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one has a molecular weight of 300.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(hydroxy)methyl]-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 66868045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).