[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol

C17H20O4 — CID 43516716

IUPAC[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
SMILESCOc1cc(CO)cc(OC)c1OCCc1ccccc1
InChIInChI=1S/C17H20O4/c1-19-15-10-14(12-18)11-16(20-2)17(15)21-9-8-13-6-4-3-5-7-13/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyYQUYOZZBDIKURB-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.82
Rot. Bonds7

About [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol

[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol (PubChem CID 43516716) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
PubChem CID43516716
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
SMILESCOc1cc(CO)cc(OC)c1OCCc1ccccc1
InChIInChI=1S/C17H20O4/c1-19-15-10-14(12-18)11-16(20-2)17(15)21-9-8-13-6-4-3-5-7-13/h3-7,10-11,18H,8-9,12H2,1-2H3
InChIKeyYQUYOZZBDIKURB-UHFFFAOYSA-N
XLogP2.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
1-bromo-5-(bromomethyl)-3-methoxy-2-(2-phenylethoxy)benzene
CID 43622757
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
3-bromo-5-methoxy-4-(2-phenylethoxy)benzoic acid
CID 22684628
3-[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]propanoic acid
CID 20993010
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
5-bromo-3-methoxy-2-(2-phenylethoxy)benzoic acid
CID 20986772
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
methyl 3-bromo-5-methoxy-4-(2-phenylethoxy)benzoate
CID 137376001

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol (CID 43516716) is [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol is COc1cc(CO)cc(OC)c1OCCc1ccccc1.
What is the InChIKey of [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol?
The InChIKey is YQUYOZZBDIKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-19-15-10-14(12-18)11-16(20-2)17(15)21-9-8-13-6-4-3-5-7-13/h3-7,10-11,18H,8-9,12H2,1-2H3.
What are the key properties of [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol?
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol has a molecular weight of 288.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 43516716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).