4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol

C24H26N2O4 — CID 70034270

IUPAC4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol
SMILESOC[C@H](Cc1ccc(O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H26N2O4/c27-14-17(12-16-8-10-18(28)11-9-16)25-13-19(29)15-30-23-7-3-6-22-24(23)20-4-1-2-5-21(20)26-22/h1-11,17,19,25-29H,12-15H2/t17-,19-/m0/s1
InChIKeyWUEHEHNHXLAADJ-HKUYNNGSSA-N
MW406.48 g/mol
LogP2.96
Rot. Bonds9

About 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol

4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol (PubChem CID 70034270) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol
PubChem CID70034270
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol
SMILESOC[C@H](Cc1ccc(O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H26N2O4/c27-14-17(12-16-8-10-18(28)11-9-16)25-13-19(29)15-30-23-7-3-6-22-24(23)20-4-1-2-5-21(20)26-22/h1-11,17,19,25-29H,12-15H2/t17-,19-/m0/s1
InChIKeyWUEHEHNHXLAADJ-HKUYNNGSSA-N
XLogP2.96
TPSA97.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine
CID 162659566
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
3-bromoprop-1-yne;1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;3-(9H-carbazol-4-yloxy)-N-propan-2-yl-2-prop-2-ynoxypropan-1-amine
CID 157267865
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
(2S)-1-(9H-carbazol-4-yloxy)-3-(1-piperidin-4-ylhexadecylamino)propan-2-ol
CID 70001402
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
CID 154090543
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
CID 163589000

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol?
The IUPAC name of 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol (CID 70034270) is 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol?
The canonical SMILES for 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol is OC[C@H](Cc1ccc(O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol?
The InChIKey is WUEHEHNHXLAADJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-14-17(12-16-8-10-18(28)11-9-16)25-13-19(29)15-30-23-7-3-6-22-24(23)20-4-1-2-5-21(20)26-22/h1-11,17,19,25-29H,12-15H2/t17-,19-/m0/s1.
What are the key properties of 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol?
4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol has a molecular weight of 406.48 g/mol, XLogP of 2.96, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol is sourced from PubChem (CID 70034270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).