(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol

C14H20O7 — CID 91096427

IUPAC(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
SMILESCOc1ccc(COC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C14H20O7/c1-20-8-4-2-7(3-5-8)6-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,9-19H,6H2,1H3/t9?,10-,11+,12-,13-,14?/m0/s1
InChIKeyXKNLTYIJNSUYLO-OBYRSOGISA-N
MW300.31 g/mol
LogP-1.60
Rot. Bonds4

About (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol

(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol (PubChem CID 91096427) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
PubChem CID91096427
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
SMILESCOc1ccc(COC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C14H20O7/c1-20-8-4-2-7(3-5-8)6-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,9-19H,6H2,1H3/t9?,10-,11+,12-,13-,14?/m0/s1
InChIKeyXKNLTYIJNSUYLO-OBYRSOGISA-N
XLogP-1.60
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol (CID 91096427) is (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol is COc1ccc(COC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol?
The InChIKey is XKNLTYIJNSUYLO-OBYRSOGISA-N. The full InChI is InChI=1S/C14H20O7/c1-20-8-4-2-7(3-5-8)6-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5,9-19H,6H2,1H3/t9?,10-,11+,12-,13-,14?/m0/s1.
What are the key properties of (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol?
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol has a molecular weight of 300.31 g/mol, XLogP of -1.60, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 91096427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).