1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol

C14H20O5 — CID 13252940

IUPAC1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol
SMILESCOc1cc(C(O)CO)ccc1OC1CCCCO1
InChIInChI=1S/C14H20O5/c1-17-13-8-10(11(16)9-15)5-6-12(13)19-14-4-2-3-7-18-14/h5-6,8,11,14-16H,2-4,7,9H2,1H3
InChIKeyWWTMRXLYXRIGTG-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.63
Rot. Bonds5

About 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol

1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol (PubChem CID 13252940) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol
PubChem CID13252940
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol
SMILESCOc1cc(C(O)CO)ccc1OC1CCCCO1
InChIInChI=1S/C14H20O5/c1-17-13-8-10(11(16)9-15)5-6-12(13)19-14-4-2-3-7-18-14/h5-6,8,11,14-16H,2-4,7,9H2,1H3
InChIKeyWWTMRXLYXRIGTG-UHFFFAOYSA-N
XLogP1.63
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
2-(3,4-dimethoxyphenyl)-3-(oxan-2-yl)-3-oxopropanenitrile
CID 62214068
[3-methoxy-4-(2-pyrrolidin-1-ylcyclohexyl)oxyphenyl]methanediol
CID 20666845
2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane
CID 46182882

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol (CID 13252940) is 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol is COc1cc(C(O)CO)ccc1OC1CCCCO1.
What is the InChIKey of 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol?
The InChIKey is WWTMRXLYXRIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-17-13-8-10(11(16)9-15)5-6-12(13)19-14-4-2-3-7-18-14/h5-6,8,11,14-16H,2-4,7,9H2,1H3.
What are the key properties of 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol?
1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol has a molecular weight of 268.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol is sourced from PubChem (CID 13252940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).