(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane

C18H20O2 — CID 11425650

IUPAC(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
SMILESCOc1ccc(C[C@H]2CC[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C18H20O2/c1-19-16-9-7-14(8-10-16)13-17-11-12-18(20-17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1
InChIKeyDUWGVKWSPRKBQE-QZTJIDSGSA-N
MW268.36 g/mol
LogP4.16
Rot. Bonds4

About (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane

(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane (PubChem CID 11425650) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane.

Molecular Properties

Compound Name(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
PubChem CID11425650
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
SMILESCOc1ccc(C[C@H]2CC[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C18H20O2/c1-19-16-9-7-14(8-10-16)13-17-11-12-18(20-17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1
InChIKeyDUWGVKWSPRKBQE-QZTJIDSGSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]-4-oxo-7-phenyl-1,4-oxazepan-4-ium-6-ol
CID 90842108
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
CID 162820309
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
benzyl-dimethyl-[(5-phenyloxolan-2-yl)methyl]silane
CID 85432039
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-benzyl-5-ethyloxolane
CID 134971012
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane?
The IUPAC name of (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane (CID 11425650) is (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane.
What is the SMILES notation for (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane?
The canonical SMILES for (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane is COc1ccc(C[C@H]2CC[C@H](c3ccccc3)O2)cc1.
What is the InChIKey of (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane?
The InChIKey is DUWGVKWSPRKBQE-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20O2/c1-19-16-9-7-14(8-10-16)13-17-11-12-18(20-17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane?
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane has a molecular weight of 268.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane is sourced from PubChem (CID 11425650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).