[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium

C18H24NO3+ — CID 38988422

IUPAC[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium
SMILESC[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3/p+1/t13-,18-/m0/s1
InChIKeyYJQZYXCXBBCEAQ-UGSOOPFHSA-O
MW302.39 g/mol
LogP1.72
Rot. Bonds7

About [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium

[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium (PubChem CID 38988422) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium
PubChem CID38988422
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium
SMILESC[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3/p+1/t13-,18-/m0/s1
InChIKeyYJQZYXCXBBCEAQ-UGSOOPFHSA-O
XLogP1.72
TPSA77.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioate;bis([(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]azanium)
CID 70592433
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
[(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-4-phenylbutan-2-yl]azanium
CID 41097888
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
4-(3,5-dimethyloctyl)phenol
CID 174906830
4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
CID 174651155
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 67313836
4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium?
The IUPAC name of [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium (CID 38988422) is [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium is C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(O)cc1.
What is the InChIKey of [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium?
The InChIKey is YJQZYXCXBBCEAQ-UGSOOPFHSA-O. The full InChI is InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3/p+1/t13-,18-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium?
[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium has a molecular weight of 302.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium is sourced from PubChem (CID 38988422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).