2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol

C25H36N2O4 — CID 163863619

IUPAC2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol
SMILESCCN(CC)c1ccc(C2C(O)C(C)(c3ccc(N(CC)CC)cc3O)C2O)c(O)c1
InChIInChI=1S/C25H36N2O4/c1-6-26(7-2)16-10-12-18(20(28)14-16)22-23(30)25(5,24(22)31)19-13-11-17(15-21(19)29)27(8-3)9-4/h10-15,22-24,28-31H,6-9H2,1-5H3
InChIKeyPESJFNZKIOXMEF-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.57
Rot. Bonds8

About 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol

2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol (PubChem CID 163863619) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol.

Molecular Properties

Compound Name2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol
PubChem CID163863619
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol
SMILESCCN(CC)c1ccc(C2C(O)C(C)(c3ccc(N(CC)CC)cc3O)C2O)c(O)c1
InChIInChI=1S/C25H36N2O4/c1-6-26(7-2)16-10-12-18(20(28)14-16)22-23(30)25(5,24(22)31)19-13-11-17(15-21(19)29)27(8-3)9-4/h10-15,22-24,28-31H,6-9H2,1-5H3
InChIKeyPESJFNZKIOXMEF-UHFFFAOYSA-N
XLogP3.57
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-[3-[4-[bis(carboxymethyl)amino]-2-hydroxyphenyl]-2,4-dihydroxycyclobutyl]-N-(carboxymethyl)-3-hydroxyanilino]acetic acid
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2-(diethylamino)-5-[3-[4-(diethylamino)-2-hydroxyphenyl]-2,4-dimethoxycyclobutyl]-1,3-thiazol-4-ol
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(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
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CID 26518715
2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]-5-oxocyclopentane-1,3-diolate
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CID 83822185
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol?
The IUPAC name of 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol (CID 163863619) is 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol.
What is the SMILES notation for 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol?
The canonical SMILES for 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol is CCN(CC)c1ccc(C2C(O)C(C)(c3ccc(N(CC)CC)cc3O)C2O)c(O)c1.
What is the InChIKey of 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol?
The InChIKey is PESJFNZKIOXMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-6-26(7-2)16-10-12-18(20(28)14-16)22-23(30)25(5,24(22)31)19-13-11-17(15-21(19)29)27(8-3)9-4/h10-15,22-24,28-31H,6-9H2,1-5H3.
What are the key properties of 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol?
2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol has a molecular weight of 428.57 g/mol, XLogP of 3.57, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol is sourced from PubChem (CID 163863619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).