(2,5-dichloro-1-propylindol-3-yl)methanol

C12H13Cl2NO — CID 82268729

IUPAC(2,5-dichloro-1-propylindol-3-yl)methanol
SMILESCCCn1c(Cl)c(CO)c2cc(Cl)ccc21
InChIInChI=1S/C12H13Cl2NO/c1-2-5-15-11-4-3-8(13)6-9(11)10(7-16)12(15)14/h3-4,6,16H,2,5,7H2,1H3
InChIKeyJSMVOLFJMXOXEL-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.85
Rot. Bonds3

About (2,5-dichloro-1-propylindol-3-yl)methanol

(2,5-dichloro-1-propylindol-3-yl)methanol (PubChem CID 82268729) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is (2,5-dichloro-1-propylindol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dichloro-1-propylindol-3-yl)methanol
PubChem CID82268729
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name(2,5-dichloro-1-propylindol-3-yl)methanol
SMILESCCCn1c(Cl)c(CO)c2cc(Cl)ccc21
InChIInChI=1S/C12H13Cl2NO/c1-2-5-15-11-4-3-8(13)6-9(11)10(7-16)12(15)14/h3-4,6,16H,2,5,7H2,1H3
InChIKeyJSMVOLFJMXOXEL-UHFFFAOYSA-N
XLogP3.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-butyl-2-chloro-6-methylindol-3-yl)methanol
CID 82269650
(2-chloro-1-ethyl-5-propan-2-ylindol-3-yl)methanol
CID 82268595
(2,5,6-trichloro-1-ethylindol-3-yl)methanol
CID 82269557
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
6-chloro-3-(4-chlorophenyl)-N-phenyl-9-propylcarbazol-2-amine
CID 171794178
(1-butyl-2,7-dichloroindol-3-yl)methanol
CID 82269358
[2-chloro-1-(2-methoxyethyl)-5,6-dimethylindol-3-yl]methanol
CID 82269110
[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
CID 82268825
1-butyl-6-chloro-3,1-benzoxazine-2,4-dione
CID 18803118
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-1-propylindol-3-yl)methanol?
The IUPAC name of (2,5-dichloro-1-propylindol-3-yl)methanol (CID 82268729) is (2,5-dichloro-1-propylindol-3-yl)methanol.
What is the SMILES notation for (2,5-dichloro-1-propylindol-3-yl)methanol?
The canonical SMILES for (2,5-dichloro-1-propylindol-3-yl)methanol is CCCn1c(Cl)c(CO)c2cc(Cl)ccc21.
What is the InChIKey of (2,5-dichloro-1-propylindol-3-yl)methanol?
The InChIKey is JSMVOLFJMXOXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-5-15-11-4-3-8(13)6-9(11)10(7-16)12(15)14/h3-4,6,16H,2,5,7H2,1H3.
What are the key properties of (2,5-dichloro-1-propylindol-3-yl)methanol?
(2,5-dichloro-1-propylindol-3-yl)methanol has a molecular weight of 258.15 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-1-propylindol-3-yl)methanol is sourced from PubChem (CID 82268729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).