(1-butyl-5-methoxyindol-2-yl)methanol

C14H19NO2 — CID 166624602

IUPAC(1-butyl-5-methoxyindol-2-yl)methanol
SMILESCCCCn1c(CO)cc2cc(OC)ccc21
InChIInChI=1S/C14H19NO2/c1-3-4-7-15-12(10-16)8-11-9-13(17-2)5-6-14(11)15/h5-6,8-9,16H,3-4,7,10H2,1-2H3
InChIKeyZFUINLNZRZQWFR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.94
Rot. Bonds5

About (1-butyl-5-methoxyindol-2-yl)methanol

(1-butyl-5-methoxyindol-2-yl)methanol (PubChem CID 166624602) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-butyl-5-methoxyindol-2-yl)methanol.

Molecular Properties

Compound Name(1-butyl-5-methoxyindol-2-yl)methanol
PubChem CID166624602
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-butyl-5-methoxyindol-2-yl)methanol
SMILESCCCCn1c(CO)cc2cc(OC)ccc21
InChIInChI=1S/C14H19NO2/c1-3-4-7-15-12(10-16)8-11-9-13(17-2)5-6-14(11)15/h5-6,8-9,16H,3-4,7,10H2,1-2H3
InChIKeyZFUINLNZRZQWFR-UHFFFAOYSA-N
XLogP2.94
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
CID 166624600
16-butyl-7,25-dimethoxy-16-azaheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaene
CID 122385437
9-butyl-3-methoxycarbazole
CID 132503458
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
5,12-dibutyl-2,9-bis(6-methoxynaphthalen-2-yl)quinolino[2,3-b]acridine-7,14-dione
CID 138622675
[4-[2-[9-butyl-7-[2-(4-methoxyphenyl)ethynyl]carbazol-2-yl]ethynyl]phenyl]methanol
CID 121298137
9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
CID 122366143
1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol
CID 135071669
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050

Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-methoxyindol-2-yl)methanol?
The IUPAC name of (1-butyl-5-methoxyindol-2-yl)methanol (CID 166624602) is (1-butyl-5-methoxyindol-2-yl)methanol.
What is the SMILES notation for (1-butyl-5-methoxyindol-2-yl)methanol?
The canonical SMILES for (1-butyl-5-methoxyindol-2-yl)methanol is CCCCn1c(CO)cc2cc(OC)ccc21.
What is the InChIKey of (1-butyl-5-methoxyindol-2-yl)methanol?
The InChIKey is ZFUINLNZRZQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-7-15-12(10-16)8-11-9-13(17-2)5-6-14(11)15/h5-6,8-9,16H,3-4,7,10H2,1-2H3.
What are the key properties of (1-butyl-5-methoxyindol-2-yl)methanol?
(1-butyl-5-methoxyindol-2-yl)methanol has a molecular weight of 233.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-methoxyindol-2-yl)methanol is sourced from PubChem (CID 166624602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).