[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol

C25H33NO3 — CID 70395375

IUPAC[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol
SMILESCCCCc1oc2ccccc2c1-c1cc(OCCN(CC)CC)ccc1CO
InChIInChI=1S/C25H33NO3/c1-4-7-11-24-25(21-10-8-9-12-23(21)29-24)22-17-20(14-13-19(22)18-27)28-16-15-26(5-2)6-3/h8-10,12-14,17,27H,4-7,11,15-16,18H2,1-3H3
InChIKeyKOKBMIXHIYZZPO-UHFFFAOYSA-N
MW395.54 g/mol
LogP5.66
Rot. Bonds11

About [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol

[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol (PubChem CID 70395375) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol
PubChem CID70395375
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol
SMILESCCCCc1oc2ccccc2c1-c1cc(OCCN(CC)CC)ccc1CO
InChIInChI=1S/C25H33NO3/c1-4-7-11-24-25(21-10-8-9-12-23(21)29-24)22-17-20(14-13-19(22)18-27)28-16-15-26(5-2)6-3/h8-10,12-14,17,27H,4-7,11,15-16,18H2,1-3H3
InChIKeyKOKBMIXHIYZZPO-UHFFFAOYSA-N
XLogP5.66
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-butyl-1-benzofuran-3-yl)thiophen-3-yl]oxy-N,N-diethylethanamine
CID 173367762
3-(2-butyl-1-benzofuran-3-yl)-5-[2-(diethylamino)ethoxy]thiophene-2-carbaldehyde;hydrochloride
CID 19902324
3-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]thiophene-2-carbaldehyde;hydrochloride
CID 19902320
3-(2-butyl-1-benzofuran-3-yl)-4-[4-[2-(diethylamino)ethoxy]phenyl]-2,2-dimethylbutanoic acid
CID 67831451
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-2,5-bis(trifluoromethyl)phenyl]methanone
CID 71768882
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
(2-phenyl-4-propoxyphenyl)methanol
CID 134112799
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
3-(2-butyl-1-benzofuran-3-yl)-4-methoxybenzaldehyde
CID 163304136
2-[4-(2-butyl-1-benzofuran-3-yl)-2,6-diiodophenoxy]acetic acid
CID 70021914
3-(2-butyl-1-benzofuran-3-yl)-5-(2-pyrrolidin-1-ylethoxy)thiophene-2-carbaldehyde;hydrochloride
CID 19902328

Frequently Asked Questions

What is the IUPAC name of [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol?
The IUPAC name of [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol (CID 70395375) is [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol.
What is the SMILES notation for [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol?
The canonical SMILES for [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol is CCCCc1oc2ccccc2c1-c1cc(OCCN(CC)CC)ccc1CO.
What is the InChIKey of [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol?
The InChIKey is KOKBMIXHIYZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-4-7-11-24-25(21-10-8-9-12-23(21)29-24)22-17-20(14-13-19(22)18-27)28-16-15-26(5-2)6-3/h8-10,12-14,17,27H,4-7,11,15-16,18H2,1-3H3.
What are the key properties of [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol?
[2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol has a molecular weight of 395.54 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butyl-1-benzofuran-3-yl)-4-[2-(diethylamino)ethoxy]phenyl]methanol is sourced from PubChem (CID 70395375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).