2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol

C21H26O7 — CID 11794734

IUPAC2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(O)c1OC
InChIInChI=1S/C21H26O7/c1-23-17-9-12(8-14(22)20(17)26-4)15-6-7-16(28-15)13-10-18(24-2)21(27-5)19(11-13)25-3/h8-11,15-16,22H,6-7H2,1-5H3/t15-,16-/m1/s1
InChIKeyJBESPDXLURMQQK-HZPDHXFCSA-N
MW390.43 g/mol
LogP4.03
Rot. Bonds7

About 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol

2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol (PubChem CID 11794734) has the molecular formula C21H26O7 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol.

Molecular Properties

Compound Name2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
PubChem CID11794734
Molecular FormulaC21H26O7
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(O)c1OC
InChIInChI=1S/C21H26O7/c1-23-17-9-12(8-14(22)20(17)26-4)15-6-7-16(28-15)13-10-18(24-2)21(27-5)19(11-13)25-3/h8-11,15-16,22H,6-7H2,1-5H3/t15-,16-/m1/s1
InChIKeyJBESPDXLURMQQK-HZPDHXFCSA-N
XLogP4.03
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
2-methoxy-6-nitro-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 23056679
2-[2-iodo-6-methoxy-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 18928874
(2R,5R)-2,5-bis(3-hexoxy-4,5-dimethoxyphenyl)oxolane
CID 10768909
2-[(2E)-4-methoxypenta-2,4-dien-2-yl]-5-(3,4,5-trimethoxyphenyl)oxolane
CID 143132571
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 12044495
(2R,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
CID 14176325
N-[2-[2-methoxy-6-methylsulfonyl-4-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethyl]hydroxylamine
CID 22092618
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
(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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
The IUPAC name of 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol (CID 11794734) is 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol.
What is the SMILES notation for 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
The canonical SMILES for 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol is COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
The InChIKey is JBESPDXLURMQQK-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H26O7/c1-23-17-9-12(8-14(22)20(17)26-4)15-6-7-16(28-15)13-10-18(24-2)21(27-5)19(11-13)25-3/h8-11,15-16,22H,6-7H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol?
2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol has a molecular weight of 390.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol is sourced from PubChem (CID 11794734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).