2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]

C13H15BrO — CID 81351637

IUPAC2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCOc1ccc2c(c1)C1(CC2)CC1CBr
InChIInChI=1S/C13H15BrO/c1-15-11-3-2-9-4-5-13(12(9)6-11)7-10(13)8-14/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyINTBCRSJOXMMFN-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.29
Rot. Bonds2

About 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]

2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane] (PubChem CID 81351637) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane].

Molecular Properties

Compound Name2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
PubChem CID81351637
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCOc1ccc2c(c1)C1(CC2)CC1CBr
InChIInChI=1S/C13H15BrO/c1-15-11-3-2-9-4-5-13(12(9)6-11)7-10(13)8-14/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyINTBCRSJOXMMFN-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane] 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

(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
N-[(5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)methyl]cyclopropanamine
CID 79374306
(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methanamine
CID 79247847
2-methoxy-N-[(6-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 79248469
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
(6-methoxyspiro[2,3-dihydrothiochromene-4,2'-cyclopropane]-1'-yl)methanamine
CID 105496966
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766

Frequently Asked Questions

What is the IUPAC name of 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The IUPAC name of 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane] (CID 81351637) is 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane].
What is the SMILES notation for 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The canonical SMILES for 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane] is COc1ccc2c(c1)C1(CC2)CC1CBr.
What is the InChIKey of 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The InChIKey is INTBCRSJOXMMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-15-11-3-2-9-4-5-13(12(9)6-11)7-10(13)8-14/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]?
2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane] has a molecular weight of 267.17 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane] is sourced from PubChem (CID 81351637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).