(1-butyl-2-chloro-6-methylindol-3-yl)methanol

C14H18ClNO — CID 82269650

IUPAC(1-butyl-2-chloro-6-methylindol-3-yl)methanol
SMILESCCCCn1c(Cl)c(CO)c2ccc(C)cc21
InChIInChI=1S/C14H18ClNO/c1-3-4-7-16-13-8-10(2)5-6-11(13)12(9-17)14(16)15/h5-6,8,17H,3-4,7,9H2,1-2H3
InChIKeyHDZBFCUSKHINTC-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.90
Rot. Bonds4

About (1-butyl-2-chloro-6-methylindol-3-yl)methanol

(1-butyl-2-chloro-6-methylindol-3-yl)methanol (PubChem CID 82269650) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (1-butyl-2-chloro-6-methylindol-3-yl)methanol.

Molecular Properties

Compound Name(1-butyl-2-chloro-6-methylindol-3-yl)methanol
PubChem CID82269650
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(1-butyl-2-chloro-6-methylindol-3-yl)methanol
SMILESCCCCn1c(Cl)c(CO)c2ccc(C)cc21
InChIInChI=1S/C14H18ClNO/c1-3-4-7-16-13-8-10(2)5-6-11(13)12(9-17)14(16)15/h5-6,8,17H,3-4,7,9H2,1-2H3
InChIKeyHDZBFCUSKHINTC-UHFFFAOYSA-N
XLogP3.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-butyl-2,7-dimethylcarbazole
CID 129212268
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
(1-butyl-2,7-dichloroindol-3-yl)methanol
CID 82269358
1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
CID 82268473
(2,5,6-trichloro-1-ethylindol-3-yl)methanol
CID 82269557
[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
CID 82269110
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
1-butyl-2,6-dichloroindole-3-carbaldehyde
CID 82269726
(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
CID 82268595
9-ethyl-2-methylcarbazole
CID 19788789
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
2-[[2-[(9-butyl-3-hydroxy-7-methylcarbazol-2-yl)methylideneamino]phenyl]iminomethyl]-7,9-dimethylcarbazol-3-ol
CID 161412266

Frequently Asked Questions

What is the IUPAC name of (1-butyl-2-chloro-6-methylindol-3-yl)methanol?
The IUPAC name of (1-butyl-2-chloro-6-methylindol-3-yl)methanol (CID 82269650) is (1-butyl-2-chloro-6-methylindol-3-yl)methanol.
What is the SMILES notation for (1-butyl-2-chloro-6-methylindol-3-yl)methanol?
The canonical SMILES for (1-butyl-2-chloro-6-methylindol-3-yl)methanol is CCCCn1c(Cl)c(CO)c2ccc(C)cc21.
What is the InChIKey of (1-butyl-2-chloro-6-methylindol-3-yl)methanol?
The InChIKey is HDZBFCUSKHINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-3-4-7-16-13-8-10(2)5-6-11(13)12(9-17)14(16)15/h5-6,8,17H,3-4,7,9H2,1-2H3.
What are the key properties of (1-butyl-2-chloro-6-methylindol-3-yl)methanol?
(1-butyl-2-chloro-6-methylindol-3-yl)methanol has a molecular weight of 251.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2-chloro-6-methylindol-3-yl)methanol is sourced from PubChem (CID 82269650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).