(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol

C20H16Cl4O — CID 6479337

IUPAC(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol
SMILESOC1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl4O/c21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13/h4-11,20,25H,1-3H2/b14-8+,15-9+
InChIKeyISVZADKAGRVXHD-VOMDNODZSA-N
MW414.16 g/mol
LogP7.31
Rot. Bonds2

About (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol

(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol (PubChem CID 6479337) has the molecular formula C20H16Cl4O and a molecular weight of 414.16 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol
PubChem CID6479337
Molecular FormulaC20H16Cl4O
Molecular Weight414.16 g/mol
Exact Mass412.00
IUPAC Name(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol
SMILESOC1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl4O/c21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13/h4-11,20,25H,1-3H2/b14-8+,15-9+
InChIKeyISVZADKAGRVXHD-VOMDNODZSA-N
XLogP7.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.16
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol (CID 6479337) is (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol is OC1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol?
The InChIKey is ISVZADKAGRVXHD-VOMDNODZSA-N. The full InChI is InChI=1S/C20H16Cl4O/c21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13/h4-11,20,25H,1-3H2/b14-8+,15-9+.
What are the key properties of (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol?
(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol has a molecular weight of 414.16 g/mol, XLogP of 7.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 6479337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).