2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane

C19H20O — CID 176808161

IUPAC2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane
SMILESc1ccc(COCC23CC(C2)C3c2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-3-7-15(8-4-1)13-20-14-19-11-17(12-19)18(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyOGTPUZSMAKCONP-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.40
Rot. Bonds5

About 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane

2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane (PubChem CID 176808161) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane
PubChem CID176808161
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane
SMILESc1ccc(COCC23CC(C2)C3c2ccccc2)cc1
InChIInChI=1S/C19H20O/c1-3-7-15(8-4-1)13-20-14-19-11-17(12-19)18(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyOGTPUZSMAKCONP-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane?
The IUPAC name of 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane (CID 176808161) is 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane is c1ccc(COCC23CC(C2)C3c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane?
The InChIKey is OGTPUZSMAKCONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-3-7-15(8-4-1)13-20-14-19-11-17(12-19)18(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane?
2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane has a molecular weight of 264.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 176808161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).