3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol

C18H19NO2 — CID 177308406

IUPAC3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
SMILESCOc1ccc2[nH]cc(C(CCO)c3ccccc3)c2c1
InChIInChI=1S/C18H19NO2/c1-21-14-7-8-18-16(11-14)17(12-19-18)15(9-10-20)13-5-3-2-4-6-13/h2-8,11-12,15,19-20H,9-10H2,1H3
InChIKeyOFWXWRBFMKTUCM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.69
Rot. Bonds5

About 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol

3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol (PubChem CID 177308406) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
PubChem CID177308406
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
SMILESCOc1ccc2[nH]cc(C(CCO)c3ccccc3)c2c1
InChIInChI=1S/C18H19NO2/c1-21-14-7-8-18-16(11-14)17(12-19-18)15(9-10-20)13-5-3-2-4-6-13/h2-8,11-12,15,19-20H,9-10H2,1H3
InChIKeyOFWXWRBFMKTUCM-UHFFFAOYSA-N
XLogP3.69
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 102154292
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
CID 54203578
2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 75365778
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol (CID 177308406) is 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol is COc1ccc2[nH]cc(C(CCO)c3ccccc3)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol?
The InChIKey is OFWXWRBFMKTUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-14-7-8-18-16(11-14)17(12-19-18)15(9-10-20)13-5-3-2-4-6-13/h2-8,11-12,15,19-20H,9-10H2,1H3.
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol?
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 177308406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).