(1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane

C20H22O2 — CID 135074848

IUPAC(1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane
SMILESc1ccc(CO[C@@H]2CCCC[C@]3(c4ccccc4)O[C@H]23)cc1
InChIInChI=1S/C20H22O2/c1-3-9-16(10-4-1)15-21-18-13-7-8-14-20(19(18)22-20)17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2/t18-,19-,20-/m1/s1
InChIKeyDPNKZFNOWVUOGB-VAMGGRTRSA-N
MW294.39 g/mol
LogP4.44
Rot. Bonds4

About (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane

(1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane (PubChem CID 135074848) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane.

Molecular Properties

Compound Name(1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane
PubChem CID135074848
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane
SMILESc1ccc(CO[C@@H]2CCCC[C@]3(c4ccccc4)O[C@H]23)cc1
InChIInChI=1S/C20H22O2/c1-3-9-16(10-4-1)15-21-18-13-7-8-14-20(19(18)22-20)17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2/t18-,19-,20-/m1/s1
InChIKeyDPNKZFNOWVUOGB-VAMGGRTRSA-N
XLogP4.44
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury
CID 134981077
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
azane;cyclopentyloxymethylbenzene
CID 69411306
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane?
The IUPAC name of (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane (CID 135074848) is (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane.
What is the SMILES notation for (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane?
The canonical SMILES for (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane is c1ccc(CO[C@@H]2CCCC[C@]3(c4ccccc4)O[C@H]23)cc1.
What is the InChIKey of (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane?
The InChIKey is DPNKZFNOWVUOGB-VAMGGRTRSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-9-16(10-4-1)15-21-18-13-7-8-14-20(19(18)22-20)17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2/t18-,19-,20-/m1/s1.
What are the key properties of (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane?
(1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane has a molecular weight of 294.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-1-phenyl-6-phenylmethoxy-8-oxabicyclo[5.1.0]octane is sourced from PubChem (CID 135074848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).