2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

C21H26N2O5 — CID 67681123

IUPAC2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2[nH]ccc12.O=C(O)c1ccccc1O
InChIInChI=1S/C14H20N2O2.C7H6O3/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;8-6-4-2-1-3-5(6)7(9)10/h3-7,10-11,15-17H,8-9H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyMQIOHXZGDJCAMA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.00
Rot. Bonds7

About 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 67681123) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID67681123
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2[nH]ccc12.O=C(O)c1ccccc1O
InChIInChI=1S/C14H20N2O2.C7H6O3/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;8-6-4-2-1-3-5(6)7(9)10/h3-7,10-11,15-17H,8-9H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyMQIOHXZGDJCAMA-UHFFFAOYSA-N
XLogP3.00
TPSA114.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
CID 19610469
[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 15289315
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
[1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] cyclohexanecarboxylate
CID 154158543
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
2,2,2-trifluoro-N-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]acetamide
CID 542557
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
CID 3066297
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 67681123) is 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1cccc2[nH]ccc12.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MQIOHXZGDJCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C7H6O3/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;8-6-4-2-1-3-5(6)7(9)10/h3-7,10-11,15-17H,8-9H2,1-2H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 386.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 67681123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).