3-[3-(1-adamantyl)-4-methoxyphenyl]phenol

C23H26O2 — CID 162669828

IUPAC3-[3-(1-adamantyl)-4-methoxyphenyl]phenol
SMILESCOc1ccc(-c2cccc(O)c2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26O2/c1-25-22-6-5-19(18-3-2-4-20(24)10-18)11-21(22)23-12-15-7-16(13-23)9-17(8-15)14-23/h2-6,10-11,15-17,24H,7-9,12-14H2,1H3
InChIKeyUWMRWHVHGJAPJV-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.54
Rot. Bonds3

About 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol

3-[3-(1-adamantyl)-4-methoxyphenyl]phenol (PubChem CID 162669828) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol.

Molecular Properties

Compound Name3-[3-(1-adamantyl)-4-methoxyphenyl]phenol
PubChem CID162669828
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name3-[3-(1-adamantyl)-4-methoxyphenyl]phenol
SMILESCOc1ccc(-c2cccc(O)c2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H26O2/c1-25-22-6-5-19(18-3-2-4-20(24)10-18)11-21(22)23-12-15-7-16(13-23)9-17(8-15)14-23/h2-6,10-11,15-17,24H,7-9,12-14H2,1H3
InChIKeyUWMRWHVHGJAPJV-UHFFFAOYSA-N
XLogP5.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol?
The IUPAC name of 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol (CID 162669828) is 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol.
What is the SMILES notation for 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol?
The canonical SMILES for 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol is COc1ccc(-c2cccc(O)c2)cc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol?
The InChIKey is UWMRWHVHGJAPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-25-22-6-5-19(18-3-2-4-20(24)10-18)11-21(22)23-12-15-7-16(13-23)9-17(8-15)14-23/h2-6,10-11,15-17,24H,7-9,12-14H2,1H3.
What are the key properties of 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol?
3-[3-(1-adamantyl)-4-methoxyphenyl]phenol has a molecular weight of 334.46 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-adamantyl)-4-methoxyphenyl]phenol is sourced from PubChem (CID 162669828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).