1-(1H-indol-4-yl)-3-phenylbutan-1-ol

C18H19NO — CID 115351872

IUPAC1-(1H-indol-4-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)c1cccc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H19NO/c1-13(14-6-3-2-4-7-14)12-18(20)16-8-5-9-17-15(16)10-11-19-17/h2-11,13,18-20H,12H2,1H3
InChIKeyHHDWKDOOPPFQFF-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.40
Rot. Bonds4

About 1-(1H-indol-4-yl)-3-phenylbutan-1-ol

1-(1H-indol-4-yl)-3-phenylbutan-1-ol (PubChem CID 115351872) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-phenylbutan-1-ol
PubChem CID115351872
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(1H-indol-4-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)c1cccc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H19NO/c1-13(14-6-3-2-4-7-14)12-18(20)16-8-5-9-17-15(16)10-11-19-17/h2-11,13,18-20H,12H2,1H3
InChIKeyHHDWKDOOPPFQFF-UHFFFAOYSA-N
XLogP4.40
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
CID 63899543
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
4-butan-2-yl-1H-indole;ethane
CID 143835108
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile
CID 124636739
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
CID 115351861
4-octan-2-yl-1H-indole
CID 130223302
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(1H-indol-4-yl)-3-phenylbutan-1-ol (CID 115351872) is 1-(1H-indol-4-yl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(1H-indol-4-yl)-3-phenylbutan-1-ol is CC(CC(O)c1cccc2[nH]ccc12)c1ccccc1.
What is the InChIKey of 1-(1H-indol-4-yl)-3-phenylbutan-1-ol?
The InChIKey is HHDWKDOOPPFQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13(14-6-3-2-4-7-14)12-18(20)16-8-5-9-17-15(16)10-11-19-17/h2-11,13,18-20H,12H2,1H3.
What are the key properties of 1-(1H-indol-4-yl)-3-phenylbutan-1-ol?
1-(1H-indol-4-yl)-3-phenylbutan-1-ol has a molecular weight of 265.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-3-phenylbutan-1-ol is sourced from PubChem (CID 115351872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).