1-adamantyl-(4-chlorophenyl)methanol

C17H21ClO — CID 55186220

IUPAC1-adamantyl-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21ClO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16,19H,5-10H2
InChIKeyQIPLQJYIPDKIIB-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.59
Rot. Bonds2

About 1-adamantyl-(4-chlorophenyl)methanol

1-adamantyl-(4-chlorophenyl)methanol (PubChem CID 55186220) has the molecular formula C17H21ClO and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-adamantyl-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name1-adamantyl-(4-chlorophenyl)methanol
PubChem CID55186220
Molecular FormulaC17H21ClO
Molecular Weight276.81 g/mol
Exact Mass276.13
IUPAC Name1-adamantyl-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21ClO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16,19H,5-10H2
InChIKeyQIPLQJYIPDKIIB-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-chlorophenyl)methanol?
The IUPAC name of 1-adamantyl-(4-chlorophenyl)methanol (CID 55186220) is 1-adamantyl-(4-chlorophenyl)methanol.
What is the SMILES notation for 1-adamantyl-(4-chlorophenyl)methanol?
The canonical SMILES for 1-adamantyl-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-chlorophenyl)methanol?
The InChIKey is QIPLQJYIPDKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16,19H,5-10H2.
What are the key properties of 1-adamantyl-(4-chlorophenyl)methanol?
1-adamantyl-(4-chlorophenyl)methanol has a molecular weight of 276.81 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-chlorophenyl)methanol is sourced from PubChem (CID 55186220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).