2-(phenylmethoxymethylidene)adamantan-1-ol

C18H22O2 — CID 67899429

IUPAC2-(phenylmethoxymethylidene)adamantan-1-ol
SMILESOC12CC3CC(CC(C3)C1=COCc1ccccc1)C2
InChIInChI=1S/C18H22O2/c19-18-9-14-6-15(10-18)8-16(7-14)17(18)12-20-11-13-4-2-1-3-5-13/h1-5,12,14-16,19H,6-11H2
InChIKeyDDCFTTHNKFQCEE-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.66
Rot. Bonds3

About 2-(phenylmethoxymethylidene)adamantan-1-ol

2-(phenylmethoxymethylidene)adamantan-1-ol (PubChem CID 67899429) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(phenylmethoxymethylidene)adamantan-1-ol.

Molecular Properties

Compound Name2-(phenylmethoxymethylidene)adamantan-1-ol
PubChem CID67899429
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(phenylmethoxymethylidene)adamantan-1-ol
SMILESOC12CC3CC(CC(C3)C1=COCc1ccccc1)C2
InChIInChI=1S/C18H22O2/c19-18-9-14-6-15(10-18)8-16(7-14)17(18)12-20-11-13-4-2-1-3-5-13/h1-5,12,14-16,19H,6-11H2
InChIKeyDDCFTTHNKFQCEE-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethylidene)adamantan-1-ol?
The IUPAC name of 2-(phenylmethoxymethylidene)adamantan-1-ol (CID 67899429) is 2-(phenylmethoxymethylidene)adamantan-1-ol.
What is the SMILES notation for 2-(phenylmethoxymethylidene)adamantan-1-ol?
The canonical SMILES for 2-(phenylmethoxymethylidene)adamantan-1-ol is OC12CC3CC(CC(C3)C1=COCc1ccccc1)C2.
What is the InChIKey of 2-(phenylmethoxymethylidene)adamantan-1-ol?
The InChIKey is DDCFTTHNKFQCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-18-9-14-6-15(10-18)8-16(7-14)17(18)12-20-11-13-4-2-1-3-5-13/h1-5,12,14-16,19H,6-11H2.
What are the key properties of 2-(phenylmethoxymethylidene)adamantan-1-ol?
2-(phenylmethoxymethylidene)adamantan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethylidene)adamantan-1-ol is sourced from PubChem (CID 67899429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).