oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol

C14H20O5 — CID 63896019

IUPACoxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)C2CCOC2)cc1OC
InChIInChI=1S/C14H20O5/c1-16-11-7-13(18-3)12(17-2)6-10(11)14(15)9-4-5-19-8-9/h6-7,9,14-15H,4-5,8H2,1-3H3
InChIKeyGCIYIZXDEFRJEL-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.78
Rot. Bonds5

About oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol

oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 63896019) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Nameoxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
PubChem CID63896019
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameoxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)C2CCOC2)cc1OC
InChIInChI=1S/C14H20O5/c1-16-11-7-13(18-3)12(17-2)6-10(11)14(15)9-4-5-19-8-9/h6-7,9,14-15H,4-5,8H2,1-3H3
InChIKeyGCIYIZXDEFRJEL-UHFFFAOYSA-N
XLogP1.78
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]oxolane
CID 61278720
(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574
1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62866756

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol (CID 63896019) is oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)C2CCOC2)cc1OC.
What is the InChIKey of oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is GCIYIZXDEFRJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-16-11-7-13(18-3)12(17-2)6-10(11)14(15)9-4-5-19-8-9/h6-7,9,14-15H,4-5,8H2,1-3H3.
What are the key properties of oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol?
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol has a molecular weight of 268.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 63896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).