(1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane

C17H24O — CID 11053904

IUPAC(1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCc1ccccc1)C2
InChIInChI=1S/C17H24O/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-,17+/m1/s1
InChIKeyZWWZQTDDKIUOFR-INMHGKMJSA-N
MW244.38 g/mol
LogP4.42
Rot. Bonds3

About (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane

(1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane (PubChem CID 11053904) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane
PubChem CID11053904
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCc1ccccc1)C2
InChIInChI=1S/C17H24O/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-,17+/m1/s1
InChIKeyZWWZQTDDKIUOFR-INMHGKMJSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane (CID 11053904) is (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCc1ccccc1)C2.
What is the InChIKey of (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane?
The InChIKey is ZWWZQTDDKIUOFR-INMHGKMJSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)14-9-10-17(16,3)15(11-14)18-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-,17+/m1/s1.
What are the key properties of (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane?
(1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane has a molecular weight of 244.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,7,7-trimethyl-2-phenylmethoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 11053904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).