2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid

C16H10Cl4O2 — CID 174934692

IUPAC2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl4O2/c17-11-3-1-8(5-13(11)19)16(7-10(16)15(21)22)9-2-4-12(18)14(20)6-9/h1-6,10H,7H2,(H,21,22)
InChIKeyRIURPVGHPCFFHD-UHFFFAOYSA-N
MW376.07 g/mol
LogP5.69
Rot. Bonds3

About 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid

2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 174934692) has the molecular formula C16H10Cl4O2 and a molecular weight of 376.07 g/mol. Its IUPAC name is 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID174934692
Molecular FormulaC16H10Cl4O2
Molecular Weight376.07 g/mol
Exact Mass373.94
IUPAC Name2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl4O2/c17-11-3-1-8(5-13(11)19)16(7-10(16)15(21)22)9-2-4-12(18)14(20)6-9/h1-6,10H,7H2,(H,21,22)
InChIKeyRIURPVGHPCFFHD-UHFFFAOYSA-N
XLogP5.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.07
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 62388315
(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
CID 65017318
(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 164674723
trans-(1S,2S)-2-(3,4-dichlorobenzoyl)-1-methylcyclopropane-1-carboxylic acid
CID 71766497
[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
CID 59779155
trans-(1S,2S)-1-(4-tert-butylphenyl)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
CID 174199906
6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid
CID 44612113
4-(3,4-dichlorophenyl)oxane-4-carboxylic acid
CID 43164279
trans-(1R,2R)-1-(3,4-dichlorophenyl)-2-hydroxycyclohexane-1-carboxylic acid
CID 68673143
6-[2-(3,4-dichlorophenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175536

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid (CID 174934692) is 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is RIURPVGHPCFFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4O2/c17-11-3-1-8(5-13(11)19)16(7-10(16)15(21)22)9-2-4-12(18)14(20)6-9/h1-6,10H,7H2,(H,21,22).
What are the key properties of 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 376.07 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 174934692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).