acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol

C18H20Cl2O6 — CID 71336866

IUPACacetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
SMILESCC(=O)O.CC(=O)O.OC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2O2.2C2H4O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10;2*1-2(3)4/h1-8,13-14,17-18H;2*1H3,(H,3,4)
InChIKeyOGGYBDVOOSEPPJ-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.94
Rot. Bonds3

About acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol

acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol (PubChem CID 71336866) has the molecular formula C18H20Cl2O6 and a molecular weight of 403.26 g/mol. Its IUPAC name is acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
PubChem CID71336866
Molecular FormulaC18H20Cl2O6
Molecular Weight403.26 g/mol
Exact Mass402.06
IUPAC Nameacetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
SMILESCC(=O)O.CC(=O)O.OC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2O2.2C2H4O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10;2*1-2(3)4/h1-8,13-14,17-18H;2*1H3,(H,3,4)
InChIKeyOGGYBDVOOSEPPJ-UHFFFAOYSA-N
XLogP3.94
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
2-[(4-chlorophenyl)-hydroxymethyl]butanoic acid
CID 62396823
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
ethyl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanoate
CID 11276671
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
1-(4-chlorophenyl)-1-sulfanylpropan-2-one
CID 163571733
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol?
The IUPAC name of acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol (CID 71336866) is acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol.
What is the SMILES notation for acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol?
The canonical SMILES for acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol is CC(=O)O.CC(=O)O.OC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol?
The InChIKey is OGGYBDVOOSEPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2.2C2H4O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10;2*1-2(3)4/h1-8,13-14,17-18H;2*1H3,(H,3,4).
What are the key properties of acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol?
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol has a molecular weight of 403.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol is sourced from PubChem (CID 71336866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).