3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate

C10H8Cl2O3 — CID 175062030

IUPAC3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate
SMILESO=C(O)OCC=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2O3/c11-8-4-7(5-9(12)6-8)2-1-3-15-10(13)14/h1-2,4-6H,3H2,(H,13,14)
InChIKeyNBVKLNWGOHYPFA-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.70
Rot. Bonds3

About 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate

3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate (PubChem CID 175062030) has the molecular formula C10H8Cl2O3 and a molecular weight of 247.08 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate
PubChem CID175062030
Molecular FormulaC10H8Cl2O3
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate
SMILESO=C(O)OCC=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2O3/c11-8-4-7(5-9(12)6-8)2-1-3-15-10(13)14/h1-2,4-6H,3H2,(H,13,14)
InChIKeyNBVKLNWGOHYPFA-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
(E)-4-(3,5-dichlorophenyl)-2-oxobut-3-enoic acid
CID 103200139
ethyl 4-(3-chloro-5-hydroxyphenyl)but-3-enoate
CID 170795714
(E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
CID 6442148
3-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476931
3-chloro-5-(3-hydroxyprop-1-enyl)phenol
CID 169452950
[(E)-3-(3-chlorophenyl)prop-2-enyl] 2-methylpropanoate
CID 168834310
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600794
(1E,4E)-1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600792
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate?
The IUPAC name of 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate (CID 175062030) is 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate.
What is the SMILES notation for 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate?
The canonical SMILES for 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate is O=C(O)OCC=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate?
The InChIKey is NBVKLNWGOHYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O3/c11-8-4-7(5-9(12)6-8)2-1-3-15-10(13)14/h1-2,4-6H,3H2,(H,13,14).
What are the key properties of 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate?
3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate has a molecular weight of 247.08 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)prop-2-enyl hydrogen carbonate is sourced from PubChem (CID 175062030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).