1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol

C13H14ClNO — CID 117343953

IUPAC1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol
SMILESCn1cc(Cl)c2cccc(CC3(O)CC3)c21
InChIInChI=1S/C13H14ClNO/c1-15-8-11(14)10-4-2-3-9(12(10)15)7-13(16)5-6-13/h2-4,8,16H,5-7H2,1H3
InChIKeyRBMCYQBTOWEGSW-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.90
Rot. Bonds2

About 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol

1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol (PubChem CID 117343953) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol
PubChem CID117343953
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol
SMILESCn1cc(Cl)c2cccc(CC3(O)CC3)c21
InChIInChI=1S/C13H14ClNO/c1-15-8-11(14)10-4-2-3-9(12(10)15)7-13(16)5-6-13/h2-4,8,16H,5-7H2,1H3
InChIKeyRBMCYQBTOWEGSW-UHFFFAOYSA-N
XLogP2.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059
O-[(3-chloro-1-methylindol-7-yl)methyl]hydroxylamine
CID 117300853
3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117445345
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339
4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
CID 65075284
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
methyl 2-(7-chloro-1-methylindol-3-yl)acetate
CID 84741199
8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59186648

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol (CID 117343953) is 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol is Cn1cc(Cl)c2cccc(CC3(O)CC3)c21.
What is the InChIKey of 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol?
The InChIKey is RBMCYQBTOWEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-15-8-11(14)10-4-2-3-9(12(10)15)7-13(16)5-6-13/h2-4,8,16H,5-7H2,1H3.
What are the key properties of 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol?
1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol has a molecular weight of 235.71 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1-methylindol-7-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117343953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).