2-chloro-5-(3-chloroprop-1-enyl)phenol

C9H8Cl2O — CID 169476940

IUPAC2-chloro-5-(3-chloroprop-1-enyl)phenol
SMILESOc1cc(C=CCCl)ccc1Cl
InChIInChI=1S/C9H8Cl2O/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,12H,5H2
InChIKeyMHMPUCFKTCYVOU-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-5-(3-chloroprop-1-enyl)phenol

2-chloro-5-(3-chloroprop-1-enyl)phenol (PubChem CID 169476940) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 2-chloro-5-(3-chloroprop-1-enyl)phenol.

Molecular Properties

Compound Name2-chloro-5-(3-chloroprop-1-enyl)phenol
PubChem CID169476940
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name2-chloro-5-(3-chloroprop-1-enyl)phenol
SMILESOc1cc(C=CCCl)ccc1Cl
InChIInChI=1S/C9H8Cl2O/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,12H,5H2
InChIKeyMHMPUCFKTCYVOU-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092
4-(4-chloro-3-hydroxyphenyl)but-3-enenitrile
CID 170799266
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
2-chloro-5-(2-phenylethenyl)phenol
CID 174326276
2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
CID 106819246
5-(3-chloroprop-1-enyl)-2-nitrophenol
CID 169477764
methyl 2-chloro-5-(3-chloroprop-1-enyl)benzoate
CID 169477809
methyl 4-(3-chloroprop-1-enyl)-2-hydroxybenzoate
CID 169477870
2-chloro-4-(3-chloroprop-1-enyl)benzenesulfonamide
CID 169477944
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
CID 169477223
3-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloroprop-1-enyl)phenol?
The IUPAC name of 2-chloro-5-(3-chloroprop-1-enyl)phenol (CID 169476940) is 2-chloro-5-(3-chloroprop-1-enyl)phenol.
What is the SMILES notation for 2-chloro-5-(3-chloroprop-1-enyl)phenol?
The canonical SMILES for 2-chloro-5-(3-chloroprop-1-enyl)phenol is Oc1cc(C=CCCl)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3-chloroprop-1-enyl)phenol?
The InChIKey is MHMPUCFKTCYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,12H,5H2.
What are the key properties of 2-chloro-5-(3-chloroprop-1-enyl)phenol?
2-chloro-5-(3-chloroprop-1-enyl)phenol has a molecular weight of 203.07 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloroprop-1-enyl)phenol is sourced from PubChem (CID 169476940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).