(2,3-dichlorophenyl)cycloheptane

C13H16Cl2 — CID 166869288

IUPAC(2,3-dichlorophenyl)cycloheptane
SMILESClc1cccc(C2CCCCCC2)c1Cl
InChIInChI=1S/C13H16Cl2/c14-12-9-5-8-11(13(12)15)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2
InChIKeyNUZCMIHIIIFXMB-UHFFFAOYSA-N
MW243.18 g/mol
LogP5.43
Rot. Bonds1

About (2,3-dichlorophenyl)cycloheptane

(2,3-dichlorophenyl)cycloheptane (PubChem CID 166869288) has the molecular formula C13H16Cl2 and a molecular weight of 243.18 g/mol. Its IUPAC name is (2,3-dichlorophenyl)cycloheptane.

Molecular Properties

Compound Name(2,3-dichlorophenyl)cycloheptane
PubChem CID166869288
Molecular FormulaC13H16Cl2
Molecular Weight243.18 g/mol
Exact Mass242.06
IUPAC Name(2,3-dichlorophenyl)cycloheptane
SMILESClc1cccc(C2CCCCCC2)c1Cl
InChIInChI=1S/C13H16Cl2/c14-12-9-5-8-11(13(12)15)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2
InChIKeyNUZCMIHIIIFXMB-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.18
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,3-dichlorophenyl)piperidine
CID 24904244
(2R)-2-(2,3-dichlorophenyl)piperidin-1-ium
CID 7048050
3-(2,3-dichlorophenyl)cyclohexan-1-one
CID 64520336
2-chloro-6-cyclopentylbenzoic acid
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2-chloro-6-cyclopentylbenzoyl chloride
CID 90041864
2-cyclododecylphenol
CID 22381643
2,6-di(cycloheptyl)aniline
CID 156891849
1-chloro-3-cyclohexyl-2-methylbenzene;4-(3-chloro-2-methylphenyl)piperidine;hydrochloride
CID 163597059
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
CID 126546202
2-chloro-1-cyclopentyl-3-(dimethoxymethyl)benzene
CID 14793793
1-(2-bromocyclopentyl)-2,3-dichlorobenzene
CID 63512300
1-chloro-2-cyclohexylbenzene;pentan-3-one
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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)cycloheptane?
The IUPAC name of (2,3-dichlorophenyl)cycloheptane (CID 166869288) is (2,3-dichlorophenyl)cycloheptane.
What is the SMILES notation for (2,3-dichlorophenyl)cycloheptane?
The canonical SMILES for (2,3-dichlorophenyl)cycloheptane is Clc1cccc(C2CCCCCC2)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)cycloheptane?
The InChIKey is NUZCMIHIIIFXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2/c14-12-9-5-8-11(13(12)15)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2.
What are the key properties of (2,3-dichlorophenyl)cycloheptane?
(2,3-dichlorophenyl)cycloheptane has a molecular weight of 243.18 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)cycloheptane is sourced from PubChem (CID 166869288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).