(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane

C14H20O4 — CID 142954682

IUPAC(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESCOc1cc([C@H]2CC[C@H](C)O2)cc(OC)c1OC
InChIInChI=1S/C14H20O4/c1-9-5-6-11(18-9)10-7-12(15-2)14(17-4)13(8-10)16-3/h7-9,11H,5-6H2,1-4H3/t9-,11+/m0/s1
InChIKeySYPYNUBDMWFPSS-GXSJLCMTSA-N
MW252.31 g/mol
LogP2.95
Rot. Bonds4

About (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane

(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane (PubChem CID 142954682) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane.

Molecular Properties

Compound Name(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
PubChem CID142954682
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
SMILESCOc1cc([C@H]2CC[C@H](C)O2)cc(OC)c1OC
InChIInChI=1S/C14H20O4/c1-9-5-6-11(18-9)10-7-12(15-2)14(17-4)13(8-10)16-3/h7-9,11H,5-6H2,1-4H3/t9-,11+/m0/s1
InChIKeySYPYNUBDMWFPSS-GXSJLCMTSA-N
XLogP2.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane
CID 10768909
2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 18928874
2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane
CID 143132571
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 23056679
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
(2R,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 14176325
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 12044495
(2R,5R)-2-(3-methoxy-5-methylsulfonyl-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 67936629
(2S,5S)-2-(3-methoxy-5-nitro-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 15390178
1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
CID 15004762
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethyl methanesulfonate
CID 12044496

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane?
The IUPAC name of (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane (CID 142954682) is (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane.
What is the SMILES notation for (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane?
The canonical SMILES for (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane is COc1cc([C@H]2CC[C@H](C)O2)cc(OC)c1OC.
What is the InChIKey of (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane?
The InChIKey is SYPYNUBDMWFPSS-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H20O4/c1-9-5-6-11(18-9)10-7-12(15-2)14(17-4)13(8-10)16-3/h7-9,11H,5-6H2,1-4H3/t9-,11+/m0/s1.
What are the key properties of (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane?
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane has a molecular weight of 252.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane is sourced from PubChem (CID 142954682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).