6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one

C15H14O4 — CID 71476627

IUPAC6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESCOc1ccc(OC)c(-c2cccc(O)c(=O)c2)c1
InChIInChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
InChIKeyPRPHVLPFKCLRHC-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.44
Rot. Bonds3

About 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one

6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 71476627) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID71476627
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESCOc1ccc(OC)c(-c2cccc(O)c(=O)c2)c1
InChIInChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
InChIKeyPRPHVLPFKCLRHC-UHFFFAOYSA-N
XLogP2.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
(3S)-3-amino-3-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938
2,3-dimethoxy-5-phenylbenzene-1,4-diol;2-(3,4-dimethoxyphenyl)-1,4-dimethoxybenzene
CID 160701879
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
5-(2,5-dimethoxyphenyl)pyridin-3-ol
CID 53217947
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one (CID 71476627) is 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one is COc1ccc(OC)c(-c2cccc(O)c(=O)c2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is PRPHVLPFKCLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 258.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 71476627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).