2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol

C18H23NO4 — CID 67603481

IUPAC2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol
SMILESCNCCC(O)c1ccccc1.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C10H15NO.C8H8O3/c1-11-8-7-10(12)9-5-3-2-4-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,10-12H,7-8H2,1H3;1-5,7,9H,(H,10,11)
InChIKeyJNTQONOGQYKOFP-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.13
Rot. Bonds6

About 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol

2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol (PubChem CID 67603481) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol
PubChem CID67603481
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol
SMILESCNCCC(O)c1ccccc1.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C10H15NO.C8H8O3/c1-11-8-7-10(12)9-5-3-2-4-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,10-12H,7-8H2,1H3;1-5,7,9H,(H,10,11)
InChIKeyJNTQONOGQYKOFP-UHFFFAOYSA-N
XLogP2.13
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 11515325
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol (CID 67603481) is 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol is CNCCC(O)c1ccccc1.O=C(O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is JNTQONOGQYKOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C8H8O3/c1-11-8-7-10(12)9-5-3-2-4-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,10-12H,7-8H2,1H3;1-5,7,9H,(H,10,11).
What are the key properties of 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol?
2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 317.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 67603481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).