ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol

C11H16O3 — CID 144848774

IUPACethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
SMILESC=C.COc1cc(CO)cc(CO)c1
InChIInChI=1S/C9H12O3.C2H4/c1-12-9-3-7(5-10)2-8(4-9)6-11;1-2/h2-4,10-11H,5-6H2,1H3;1-2H2
InChIKeyDFSYRNCNJLZVNU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.48
Rot. Bonds3

About ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol

ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol (PubChem CID 144848774) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Nameethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
PubChem CID144848774
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
SMILESC=C.COc1cc(CO)cc(CO)c1
InChIInChI=1S/C9H12O3.C2H4/c1-12-9-3-7(5-10)2-8(4-9)6-11;1-2/h2-4,10-11H,5-6H2,1H3;1-2H2
InChIKeyDFSYRNCNJLZVNU-UHFFFAOYSA-N
XLogP1.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
3-(hydroxymethyl)-5-methoxybenzoic acid
CID 66589238
(3-methoxyphenyl)(113C)methanol
CID 11593446
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
2-hydrazinyl-N-[[3-(hydroxymethyl)-5-methoxyphenyl]methyl]-2-oxoacetamide
CID 135121001
2-[3-(hydroxymethyl)-5-methoxyphenyl]-2-methylpropanal
CID 118404113
(4-methoxyphenyl)methanol
CID 7738
[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 21060332
[3-(2-chlorophenyl)-5-methoxyphenyl]methanol
CID 123183360

Frequently Asked Questions

What is the IUPAC name of ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol?
The IUPAC name of ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol (CID 144848774) is ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol.
What is the SMILES notation for ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol?
The canonical SMILES for ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol is C=C.COc1cc(CO)cc(CO)c1.
What is the InChIKey of ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol?
The InChIKey is DFSYRNCNJLZVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C2H4/c1-12-9-3-7(5-10)2-8(4-9)6-11;1-2/h2-4,10-11H,5-6H2,1H3;1-2H2.
What are the key properties of ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol?
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol has a molecular weight of 196.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol is sourced from PubChem (CID 144848774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).