(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol

C14H18ClNO — CID 82268595

IUPAC(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
SMILESCCn1c(Cl)c(CO)c2cc(C(C)C)ccc21
InChIInChI=1S/C14H18ClNO/c1-4-16-13-6-5-10(9(2)3)7-11(13)12(8-17)14(16)15/h5-7,9,17H,4,8H2,1-3H3
InChIKeyQJRDLTIOUZZPJA-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.93
Rot. Bonds3

About (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol

(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol (PubChem CID 82268595) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
PubChem CID82268595
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
SMILESCCn1c(Cl)c(CO)c2cc(C(C)C)ccc21
InChIInChI=1S/C14H18ClNO/c1-4-16-13-6-5-10(9(2)3)7-11(13)12(8-17)14(16)15/h5-7,9,17H,4,8H2,1-3H3
InChIKeyQJRDLTIOUZZPJA-UHFFFAOYSA-N
XLogP3.93
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-ethyl-5-propan-2-ylindole-3-carbaldehyde
CID 82268593
(2,5,6-trichloro-1-ethylindol-3-yl)methanol
CID 82269557
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
CID 82268617
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
3-butan-2-yl-9-ethylcarbazole
CID 23520664
1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
1-ethyl-2-methyl-5-propan-2-ylindole
CID 155701279
(1-butyl-2-chloro-6-methylindol-3-yl)methanol
CID 82269650
(1R)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909380
(1S)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909381

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol?
The IUPAC name of (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol (CID 82268595) is (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol.
What is the SMILES notation for (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol?
The canonical SMILES for (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol is CCn1c(Cl)c(CO)c2cc(C(C)C)ccc21.
What is the InChIKey of (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol?
The InChIKey is QJRDLTIOUZZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-16-13-6-5-10(9(2)3)7-11(13)12(8-17)14(16)15/h5-7,9,17H,4,8H2,1-3H3.
What are the key properties of (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol?
(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol has a molecular weight of 251.76 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol is sourced from PubChem (CID 82268595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).