2-(4-chlorophenyl)adamantan-2-ol

C16H19ClO — CID 14716058

IUPAC2-(4-chlorophenyl)adamantan-2-ol
SMILESOC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H19ClO/c17-15-3-1-12(2-4-15)16(18)13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,18H,5-9H2
InChIKeyUXTWTDIUEQFWKE-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.98
Rot. Bonds1

About 2-(4-chlorophenyl)adamantan-2-ol

2-(4-chlorophenyl)adamantan-2-ol (PubChem CID 14716058) has the molecular formula C16H19ClO and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)adamantan-2-ol
PubChem CID14716058
Molecular FormulaC16H19ClO
Molecular Weight262.78 g/mol
Exact Mass262.11
IUPAC Name2-(4-chlorophenyl)adamantan-2-ol
SMILESOC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H19ClO/c17-15-3-1-12(2-4-15)16(18)13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,18H,5-9H2
InChIKeyUXTWTDIUEQFWKE-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)adamantan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)adamantan-2-ol (CID 14716058) is 2-(4-chlorophenyl)adamantan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)adamantan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)adamantan-2-ol is OC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(4-chlorophenyl)adamantan-2-ol?
The InChIKey is UXTWTDIUEQFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO/c17-15-3-1-12(2-4-15)16(18)13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,18H,5-9H2.
What are the key properties of 2-(4-chlorophenyl)adamantan-2-ol?
2-(4-chlorophenyl)adamantan-2-ol has a molecular weight of 262.78 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)adamantan-2-ol is sourced from PubChem (CID 14716058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).