(4-chloro-1-methylindol-3-yl)methanol

C10H10ClNO — CID 117119629

IUPAC(4-chloro-1-methylindol-3-yl)methanol
SMILESCn1cc(CO)c2c(Cl)cccc21
InChIInChI=1S/C10H10ClNO/c1-12-5-7(6-13)10-8(11)3-2-4-9(10)12/h2-5,13H,6H2,1H3
InChIKeyJQQLQQRKXDEOQY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.32
Rot. Bonds1

About (4-chloro-1-methylindol-3-yl)methanol

(4-chloro-1-methylindol-3-yl)methanol (PubChem CID 117119629) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (4-chloro-1-methylindol-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylindol-3-yl)methanol
PubChem CID117119629
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(4-chloro-1-methylindol-3-yl)methanol
SMILESCn1cc(CO)c2c(Cl)cccc21
InChIInChI=1S/C10H10ClNO/c1-12-5-7(6-13)10-8(11)3-2-4-9(10)12/h2-5,13H,6H2,1H3
InChIKeyJQQLQQRKXDEOQY-UHFFFAOYSA-N
XLogP2.32
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82666815
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117322623
4-(3-chloro-1-methylindol-4-yl)butan-1-amine
CID 117345887
(3-chloro-1-methylindol-4-yl)azanium
CID 154616293
(4-amino-5-methoxy-1-methylindol-3-yl)methanol
CID 119090872
(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
1-(3-chloro-1-methylindol-4-yl)ethanol
CID 84677358
5-chloro-1-methylquinolin-4-one
CID 122129798
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
CID 117171695
4-chloro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117172066

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylindol-3-yl)methanol?
The IUPAC name of (4-chloro-1-methylindol-3-yl)methanol (CID 117119629) is (4-chloro-1-methylindol-3-yl)methanol.
What is the SMILES notation for (4-chloro-1-methylindol-3-yl)methanol?
The canonical SMILES for (4-chloro-1-methylindol-3-yl)methanol is Cn1cc(CO)c2c(Cl)cccc21.
What is the InChIKey of (4-chloro-1-methylindol-3-yl)methanol?
The InChIKey is JQQLQQRKXDEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-12-5-7(6-13)10-8(11)3-2-4-9(10)12/h2-5,13H,6H2,1H3.
What are the key properties of (4-chloro-1-methylindol-3-yl)methanol?
(4-chloro-1-methylindol-3-yl)methanol has a molecular weight of 195.65 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylindol-3-yl)methanol is sourced from PubChem (CID 117119629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).