3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one

C7H3Cl3O2 — CID 101110060

IUPAC3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1c(Cl)cc(Cl)cc(Cl)c1O
InChIInChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(11)7(12)5(10)2-3/h1-2H,(H,11,12)
InChIKeyVXUWZYVVMWWROL-UHFFFAOYSA-N
MW225.46 g/mol
LogP2.71
Rot. Bonds

About 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one

3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 101110060) has the molecular formula C7H3Cl3O2 and a molecular weight of 225.46 g/mol. Its IUPAC name is 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID101110060
Molecular FormulaC7H3Cl3O2
Molecular Weight225.46 g/mol
Exact Mass223.92
IUPAC Name3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1c(Cl)cc(Cl)cc(Cl)c1O
InChIInChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(11)7(12)5(10)2-3/h1-2H,(H,11,12)
InChIKeyVXUWZYVVMWWROL-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
1-[3,5-dichloro-2-(hydroxyamino)phenyl]-3-(3,5-dichloro-2-hydroxyphenyl)-1,3-diazetidine-2,4-dione
CID 90211649
barium(2+);bis(3,5-dichloro-2-hydroxybenzenesulfonate)
CID 139842253
(4S)-4-(3,5-dichloro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131574864
3,5-dichloro-2-hydroxybenzenediazonium
CID 13461331
3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enal
CID 75293985

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one (CID 101110060) is 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one is O=c1c(Cl)cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is VXUWZYVVMWWROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(11)7(12)5(10)2-3/h1-2H,(H,11,12).
What are the key properties of 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one?
3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 225.46 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trichloro-2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 101110060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).