5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol

C16H18ClNO — CID 139634410

IUPAC5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol
SMILESNc1cccc2c(O)c(C3CCCCC3)cc(Cl)c12
InChIInChI=1S/C16H18ClNO/c17-13-9-12(10-5-2-1-3-6-10)16(19)11-7-4-8-14(18)15(11)13/h4,7-10,19H,1-3,5-6,18H2
InChIKeyCMESVJWTXBZWEF-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.83
Rot. Bonds1

About 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol

5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol (PubChem CID 139634410) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol.

Molecular Properties

Compound Name5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol
PubChem CID139634410
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol
SMILESNc1cccc2c(O)c(C3CCCCC3)cc(Cl)c12
InChIInChI=1S/C16H18ClNO/c17-13-9-12(10-5-2-1-3-6-10)16(19)11-7-4-8-14(18)15(11)13/h4,7-10,19H,1-3,5-6,18H2
InChIKeyCMESVJWTXBZWEF-UHFFFAOYSA-N
XLogP4.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol?
The IUPAC name of 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol (CID 139634410) is 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol.
What is the SMILES notation for 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol?
The canonical SMILES for 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol is Nc1cccc2c(O)c(C3CCCCC3)cc(Cl)c12.
What is the InChIKey of 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol?
The InChIKey is CMESVJWTXBZWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-13-9-12(10-5-2-1-3-6-10)16(19)11-7-4-8-14(18)15(11)13/h4,7-10,19H,1-3,5-6,18H2.
What are the key properties of 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol?
5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol has a molecular weight of 275.78 g/mol, XLogP of 4.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-cyclohexylnaphthalen-1-ol is sourced from PubChem (CID 139634410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).