[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol

C25H30O2 — CID 59318540

IUPAC[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol
SMILESCOc1cc(C(O)c2ccccc2)ccc1C1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H30O2/c1-25(20-11-16-10-17(13-20)14-21(25)12-16)22-9-8-19(15-23(22)27-2)24(26)18-6-4-3-5-7-18/h3-9,15-17,20-21,24,26H,10-14H2,1-2H3
InChIKeyWRJBZTQEIYEKRN-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.49
Rot. Bonds4

About [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol

[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol (PubChem CID 59318540) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol
PubChem CID59318540
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol
SMILESCOc1cc(C(O)c2ccccc2)ccc1C1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H30O2/c1-25(20-11-16-10-17(13-20)14-21(25)12-16)22-9-8-19(15-23(22)27-2)24(26)18-6-4-3-5-7-18/h3-9,15-17,20-21,24,26H,10-14H2,1-2H3
InChIKeyWRJBZTQEIYEKRN-UHFFFAOYSA-N
XLogP5.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
The IUPAC name of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol (CID 59318540) is [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol.
What is the SMILES notation for [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
The canonical SMILES for [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol is COc1cc(C(O)c2ccccc2)ccc1C1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
The InChIKey is WRJBZTQEIYEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-25(20-11-16-10-17(13-20)14-21(25)12-16)22-9-8-19(15-23(22)27-2)24(26)18-6-4-3-5-7-18/h3-9,15-17,20-21,24,26H,10-14H2,1-2H3.
What are the key properties of [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol?
[3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol has a molecular weight of 362.51 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-methyl-2-adamantyl)phenyl]-phenylmethanol is sourced from PubChem (CID 59318540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).