1,1-bis(2-chlorophenoxy)propan-1-ol

C15H14Cl2O3 — CID 139794539

IUPAC1,1-bis(2-chlorophenoxy)propan-1-ol
SMILESCCC(O)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C15H14Cl2O3/c1-2-15(18,19-13-9-5-3-7-11(13)16)20-14-10-6-4-8-12(14)17/h3-10,18H,2H2,1H3
InChIKeyNMMJFNMYTGRMSA-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.51
Rot. Bonds5

About 1,1-bis(2-chlorophenoxy)propan-1-ol

1,1-bis(2-chlorophenoxy)propan-1-ol (PubChem CID 139794539) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 1,1-bis(2-chlorophenoxy)propan-1-ol.

Molecular Properties

Compound Name1,1-bis(2-chlorophenoxy)propan-1-ol
PubChem CID139794539
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name1,1-bis(2-chlorophenoxy)propan-1-ol
SMILESCCC(O)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C15H14Cl2O3/c1-2-15(18,19-13-9-5-3-7-11(13)16)20-14-10-6-4-8-12(14)17/h3-10,18H,2H2,1H3
InChIKeyNMMJFNMYTGRMSA-UHFFFAOYSA-N
XLogP4.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-2-methylbutan-1-amine
CID 62355038
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
CID 62354816
1-chloro-2-methoxybenzene
CID 13011
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
1-chloro-2-(chloromethyl)-3-(2-methylbutan-2-yloxy)benzene
CID 29004046
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
1-(1-bromopropoxy)-2-chlorobenzene
CID 67903690
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-chlorophenoxy)propan-1-ol?
The IUPAC name of 1,1-bis(2-chlorophenoxy)propan-1-ol (CID 139794539) is 1,1-bis(2-chlorophenoxy)propan-1-ol.
What is the SMILES notation for 1,1-bis(2-chlorophenoxy)propan-1-ol?
The canonical SMILES for 1,1-bis(2-chlorophenoxy)propan-1-ol is CCC(O)(Oc1ccccc1Cl)Oc1ccccc1Cl.
What is the InChIKey of 1,1-bis(2-chlorophenoxy)propan-1-ol?
The InChIKey is NMMJFNMYTGRMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c1-2-15(18,19-13-9-5-3-7-11(13)16)20-14-10-6-4-8-12(14)17/h3-10,18H,2H2,1H3.
What are the key properties of 1,1-bis(2-chlorophenoxy)propan-1-ol?
1,1-bis(2-chlorophenoxy)propan-1-ol has a molecular weight of 313.18 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-chlorophenoxy)propan-1-ol is sourced from PubChem (CID 139794539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).