4-[5-(hydroxymethyl)-2-adamantyl]phenol

C17H22O2 — CID 167488487

IUPAC4-[5-(hydroxymethyl)-2-adamantyl]phenol
SMILESOCC12CC3CC(C1)C(c1ccc(O)cc1)C(C3)C2
InChIInChI=1S/C17H22O2/c18-10-17-7-11-5-13(8-17)16(14(6-11)9-17)12-1-3-15(19)4-2-12/h1-4,11,13-14,16,18-19H,5-10H2
InChIKeyYUNAPAJVDXMJSL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.29
Rot. Bonds2

About 4-[5-(hydroxymethyl)-2-adamantyl]phenol

4-[5-(hydroxymethyl)-2-adamantyl]phenol (PubChem CID 167488487) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-2-adamantyl]phenol.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-2-adamantyl]phenol
PubChem CID167488487
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-[5-(hydroxymethyl)-2-adamantyl]phenol
SMILESOCC12CC3CC(C1)C(c1ccc(O)cc1)C(C3)C2
InChIInChI=1S/C17H22O2/c18-10-17-7-11-5-13(8-17)16(14(6-11)9-17)12-1-3-15(19)4-2-12/h1-4,11,13-14,16,18-19H,5-10H2
InChIKeyYUNAPAJVDXMJSL-UHFFFAOYSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-2-adamantyl]phenol?
The IUPAC name of 4-[5-(hydroxymethyl)-2-adamantyl]phenol (CID 167488487) is 4-[5-(hydroxymethyl)-2-adamantyl]phenol.
What is the SMILES notation for 4-[5-(hydroxymethyl)-2-adamantyl]phenol?
The canonical SMILES for 4-[5-(hydroxymethyl)-2-adamantyl]phenol is OCC12CC3CC(C1)C(c1ccc(O)cc1)C(C3)C2.
What is the InChIKey of 4-[5-(hydroxymethyl)-2-adamantyl]phenol?
The InChIKey is YUNAPAJVDXMJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-10-17-7-11-5-13(8-17)16(14(6-11)9-17)12-1-3-15(19)4-2-12/h1-4,11,13-14,16,18-19H,5-10H2.
What are the key properties of 4-[5-(hydroxymethyl)-2-adamantyl]phenol?
4-[5-(hydroxymethyl)-2-adamantyl]phenol has a molecular weight of 258.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-2-adamantyl]phenol is sourced from PubChem (CID 167488487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).