[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol

C20H27NO4 — CID 102327787

IUPAC[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol
SMILESCOCCN(CCOC)c1ccccc1C(O)c1ccc(OC)cc1
InChIInChI=1S/C20H27NO4/c1-23-14-12-21(13-15-24-2)19-7-5-4-6-18(19)20(22)16-8-10-17(25-3)11-9-16/h4-11,20,22H,12-15H2,1-3H3
InChIKeyOLVJGSYBRUBBDU-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.88
Rot. Bonds10

About [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol

[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol (PubChem CID 102327787) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol
PubChem CID102327787
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol
SMILESCOCCN(CCOC)c1ccccc1C(O)c1ccc(OC)cc1
InChIInChI=1S/C20H27NO4/c1-23-14-12-21(13-15-24-2)19-7-5-4-6-18(19)20(22)16-8-10-17(25-3)11-9-16/h4-11,20,22H,12-15H2,1-3H3
InChIKeyOLVJGSYBRUBBDU-UHFFFAOYSA-N
XLogP2.88
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol?
The IUPAC name of [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol (CID 102327787) is [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol is COCCN(CCOC)c1ccccc1C(O)c1ccc(OC)cc1.
What is the InChIKey of [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol?
The InChIKey is OLVJGSYBRUBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-23-14-12-21(13-15-24-2)19-7-5-4-6-18(19)20(22)16-8-10-17(25-3)11-9-16/h4-11,20,22H,12-15H2,1-3H3.
What are the key properties of [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol?
[2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol has a molecular weight of 345.44 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methoxyethyl)amino]phenyl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 102327787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).