1H-indol-4-yl-(3-methylfuran-2-yl)methanol

C14H13NO2 — CID 113489056

IUPAC1H-indol-4-yl-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H13NO2/c1-9-6-8-17-14(9)13(16)11-3-2-4-12-10(11)5-7-15-12/h2-8,13,15-16H,1H3
InChIKeyZQZISEIWKUASOL-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.15
Rot. Bonds2

About 1H-indol-4-yl-(3-methylfuran-2-yl)methanol

1H-indol-4-yl-(3-methylfuran-2-yl)methanol (PubChem CID 113489056) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1H-indol-4-yl-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name1H-indol-4-yl-(3-methylfuran-2-yl)methanol
PubChem CID113489056
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1H-indol-4-yl-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H13NO2/c1-9-6-8-17-14(9)13(16)11-3-2-4-12-10(11)5-7-15-12/h2-8,13,15-16H,1H3
InChIKeyZQZISEIWKUASOL-UHFFFAOYSA-N
XLogP3.15
TPSA49.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(1H-indol-4-yl)methanol
CID 115351861
1H-indol-4-yl-(5-methylthiophen-2-yl)methanol
CID 115351831
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(2-fluorophenyl)-(1H-indol-4-yl)methanol
CID 113292217
(2,6-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351810
1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
CID 115351825
(2,3-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351822
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
(2-amino-3-pyridinyl)-(3-methylfuran-2-yl)methanol
CID 104800648
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
(3-methylfuran-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61082570

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-(3-methylfuran-2-yl)methanol?
The IUPAC name of 1H-indol-4-yl-(3-methylfuran-2-yl)methanol (CID 113489056) is 1H-indol-4-yl-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for 1H-indol-4-yl-(3-methylfuran-2-yl)methanol?
The canonical SMILES for 1H-indol-4-yl-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1cccc2[nH]ccc12.
What is the InChIKey of 1H-indol-4-yl-(3-methylfuran-2-yl)methanol?
The InChIKey is ZQZISEIWKUASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-6-8-17-14(9)13(16)11-3-2-4-12-10(11)5-7-15-12/h2-8,13,15-16H,1H3.
What are the key properties of 1H-indol-4-yl-(3-methylfuran-2-yl)methanol?
1H-indol-4-yl-(3-methylfuran-2-yl)methanol has a molecular weight of 227.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 113489056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).