1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol

C15H20Cl2O — CID 107307502

IUPAC1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C15H20Cl2O/c1-2-11-5-4-8-15(18,9-11)10-12-6-3-7-13(16)14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyXTHKUTLNQSDXNZ-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.87
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol

1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol (PubChem CID 107307502) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
PubChem CID107307502
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C15H20Cl2O/c1-2-11-5-4-8-15(18,9-11)10-12-6-3-7-13(16)14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyXTHKUTLNQSDXNZ-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol (CID 107307502) is 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol is CCC1CCCC(O)(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol?
The InChIKey is XTHKUTLNQSDXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c1-2-11-5-4-8-15(18,9-11)10-12-6-3-7-13(16)14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol?
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol has a molecular weight of 287.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol is sourced from PubChem (CID 107307502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).