3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol

C17H14BrNO2 — CID 126970765

IUPAC3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol
SMILESCOCn1c2ccccc2c2cc(Br)c(C#CCO)cc21
InChIInChI=1S/C17H14BrNO2/c1-21-11-19-16-7-3-2-6-13(16)14-10-15(18)12(5-4-8-20)9-17(14)19/h2-3,6-7,9-10,20H,8,11H2,1H3
InChIKeyIWJPLYHRYNCISM-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.50
Rot. Bonds2

About 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol

3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol (PubChem CID 126970765) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol
PubChem CID126970765
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol
SMILESCOCn1c2ccccc2c2cc(Br)c(C#CCO)cc21
InChIInChI=1S/C17H14BrNO2/c1-21-11-19-16-7-3-2-6-13(16)14-10-15(18)12(5-4-8-20)9-17(14)19/h2-3,6-7,9-10,20H,8,11H2,1H3
InChIKeyIWJPLYHRYNCISM-UHFFFAOYSA-N
XLogP3.50
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol
CID 141349595
9-(methoxymethyl)-2-methylpyrido[2,3-b]indole
CID 135086735
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
2-bromo-1-[2-chloro-1-(methoxymethyl)indol-3-yl]ethanone
CID 640804
3-[2-[(E)-hydroxyiminomethyl]-1-(methoxymethyl)indol-3-yl]prop-2-ynyl acetate
CID 177450690
9-(methoxymethyl)carbazole-3,6-diamine
CID 174533461
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
carbazol-9-ylmethyl propanoate
CID 122502701
3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole
CID 138520058
1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one
CID 12014781

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol (CID 126970765) is 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol is COCn1c2ccccc2c2cc(Br)c(C#CCO)cc21.
What is the InChIKey of 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol?
The InChIKey is IWJPLYHRYNCISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-21-11-19-16-7-3-2-6-13(16)14-10-15(18)12(5-4-8-20)9-17(14)19/h2-3,6-7,9-10,20H,8,11H2,1H3.
What are the key properties of 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol?
3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol has a molecular weight of 344.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-9-(methoxymethyl)carbazol-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 126970765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).