2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol

C17H26ClNO — CID 170865474

IUPAC2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
SMILESCN(C)CCCc1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C17H26ClNO/c1-19(2)10-6-9-14-11-15(12-16(18)17(14)20)13-7-4-3-5-8-13/h11-13,20H,3-10H2,1-2H3
InChIKeyHVMQJENFQQPQHB-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.59
Rot. Bonds5

About 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol

2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol (PubChem CID 170865474) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol.

Molecular Properties

Compound Name2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
PubChem CID170865474
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
SMILESCN(C)CCCc1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C17H26ClNO/c1-19(2)10-6-9-14-11-15(12-16(18)17(14)20)13-7-4-3-5-8-13/h11-13,20H,3-10H2,1-2H3
InChIKeyHVMQJENFQQPQHB-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol?
The IUPAC name of 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol (CID 170865474) is 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol.
What is the SMILES notation for 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol?
The canonical SMILES for 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol is CN(C)CCCc1cc(C2CCCCC2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol?
The InChIKey is HVMQJENFQQPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-19(2)10-6-9-14-11-15(12-16(18)17(14)20)13-7-4-3-5-8-13/h11-13,20H,3-10H2,1-2H3.
What are the key properties of 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol?
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol has a molecular weight of 295.85 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol is sourced from PubChem (CID 170865474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).