chloroform;1-phenoxyethanol

C9H11Cl3O2 — CID 160851082

IUPACchloroform;1-phenoxyethanol
SMILESCC(O)Oc1ccccc1.ClC(Cl)Cl
InChIInChI=1S/C8H10O2.CHCl3/c1-7(9)10-8-5-3-2-4-6-8;2-1(3)4/h2-7,9H,1H3;1H
InChIKeySJGRAMVYTAJSJB-UHFFFAOYSA-N
MW257.54 g/mol
LogP3.39
Rot. Bonds2

About chloroform;1-phenoxyethanol

chloroform;1-phenoxyethanol (PubChem CID 160851082) has the molecular formula C9H11Cl3O2 and a molecular weight of 257.54 g/mol. Its IUPAC name is chloroform;1-phenoxyethanol.

Molecular Properties

Compound Namechloroform;1-phenoxyethanol
PubChem CID160851082
Molecular FormulaC9H11Cl3O2
Molecular Weight257.54 g/mol
Exact Mass255.98
IUPAC Namechloroform;1-phenoxyethanol
SMILESCC(O)Oc1ccccc1.ClC(Cl)Cl
InChIInChI=1S/C8H10O2.CHCl3/c1-7(9)10-8-5-3-2-4-6-8;2-1(3)4/h2-7,9H,1H3;1H
InChIKeySJGRAMVYTAJSJB-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenoxyethanol
CID 66611531
1-phenoxyethanol;trihydrate
CID 175915128
anisole;1-phenoxyethanol
CID 143208941
magnesium;1-phenoxyethanol;sulfate
CID 159781449
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
azane;aziridin-2-ol;1-phenoxyethanol
CID 20544565
1-phenoxyethanol;2-phenylethanol
CID 70376198
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
CID 71095161
1,2-dichloropropoxybenzene
CID 118151210
1-phenoxypropane-1,2-diol
CID 22140567
dichloro-hydroxy-phenoxyphosphanium
CID 23414991
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-phenylanilino)phenoxy]ethanol
CID 71095144

Frequently Asked Questions

What is the IUPAC name of chloroform;1-phenoxyethanol?
The IUPAC name of chloroform;1-phenoxyethanol (CID 160851082) is chloroform;1-phenoxyethanol.
What is the SMILES notation for chloroform;1-phenoxyethanol?
The canonical SMILES for chloroform;1-phenoxyethanol is CC(O)Oc1ccccc1.ClC(Cl)Cl.
What is the InChIKey of chloroform;1-phenoxyethanol?
The InChIKey is SJGRAMVYTAJSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.CHCl3/c1-7(9)10-8-5-3-2-4-6-8;2-1(3)4/h2-7,9H,1H3;1H.
What are the key properties of chloroform;1-phenoxyethanol?
chloroform;1-phenoxyethanol has a molecular weight of 257.54 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;1-phenoxyethanol is sourced from PubChem (CID 160851082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).