(7-chloro-1-ethylindol-3-yl)methanol

C11H12ClNO — CID 83522863

IUPAC(7-chloro-1-ethylindol-3-yl)methanol
SMILESCCn1cc(CO)c2cccc(Cl)c21
InChIInChI=1S/C11H12ClNO/c1-2-13-6-8(7-14)9-4-3-5-10(12)11(9)13/h3-6,14H,2,7H2,1H3
InChIKeyRNPGKRCNVQEUJW-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.81
Rot. Bonds2

About (7-chloro-1-ethylindol-3-yl)methanol

(7-chloro-1-ethylindol-3-yl)methanol (PubChem CID 83522863) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (7-chloro-1-ethylindol-3-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1-ethylindol-3-yl)methanol
PubChem CID83522863
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(7-chloro-1-ethylindol-3-yl)methanol
SMILESCCn1cc(CO)c2cccc(Cl)c21
InChIInChI=1S/C11H12ClNO/c1-2-13-6-8(7-14)9-4-3-5-10(12)11(9)13/h3-6,14H,2,7H2,1H3
InChIKeyRNPGKRCNVQEUJW-UHFFFAOYSA-N
XLogP2.81
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
CID 117197676
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
CID 83967143
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654
methyl 2-(7-chloro-1-methylindol-3-yl)acetate
CID 84741199
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-ethylindol-3-yl)methanol?
The IUPAC name of (7-chloro-1-ethylindol-3-yl)methanol (CID 83522863) is (7-chloro-1-ethylindol-3-yl)methanol.
What is the SMILES notation for (7-chloro-1-ethylindol-3-yl)methanol?
The canonical SMILES for (7-chloro-1-ethylindol-3-yl)methanol is CCn1cc(CO)c2cccc(Cl)c21.
What is the InChIKey of (7-chloro-1-ethylindol-3-yl)methanol?
The InChIKey is RNPGKRCNVQEUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-13-6-8(7-14)9-4-3-5-10(12)11(9)13/h3-6,14H,2,7H2,1H3.
What are the key properties of (7-chloro-1-ethylindol-3-yl)methanol?
(7-chloro-1-ethylindol-3-yl)methanol has a molecular weight of 209.68 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-ethylindol-3-yl)methanol is sourced from PubChem (CID 83522863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).